diff --git a/.github/workflows/build_and_test.yml b/.github/workflows/build_and_test.yml index b0fb147a734..4b57484ceac 100644 --- a/.github/workflows/build_and_test.yml +++ b/.github/workflows/build_and_test.yml @@ -9,6 +9,9 @@ on: required: false type: string default: build + DOCKER_CERTS_UPDATE_COMMAND: + required: false + type: string CMAKE_BUILD_TYPE: required: true type: string @@ -16,6 +19,10 @@ on: required: false type: boolean default: false + DOCKER_CERTS_DIR: + required: false + type: string + default: '' DOCKER_IMAGE_TAG: required: true type: string @@ -40,13 +47,23 @@ on: HOST_CONFIG: required: false type: string + NPROC: + required: false + type: string + default: '' RUNS_ON: required: true type: string + UPLOAD_BASELINES: + required: false + type: string USE_SCCACHE: required: false type: boolean default: true + REQUIRED_LABEL: + required: false + type: string secrets: GOOGLE_CLOUD_GCP: required: false @@ -54,6 +71,17 @@ jobs: build_test_deploy: runs-on: ${{ inputs.RUNS_ON }} steps: + - name: does_pr_have_necessary_labels + if: ${{inputs.REQUIRED_LABEL && github.event_name == 'pull_request'}} + run: | + pr_json=$(curl -H "Accept: application/vnd.github+json" https://api.github.com/repos/${{ github.repository }}/pulls/${{ github.event.number }}) + LABELS=$(echo ${pr_json} | jq -crM '[.labels[].name]') + echo " the labels are ${LABELS}" + echo " the required label is ${{inputs.REQUIRED_LABEL}}" + if [[ "${LABELS}" != *"${{inputs.REQUIRED_LABEL}}"* ]]; then + exit 1 + fi + - name: 'Cleanup build folder' run: | pwd @@ -64,7 +92,7 @@ jobs: ls -la ./ - name: Checkout Repository - uses: actions/checkout@v4.1.1 + uses: actions/checkout@v4.1.4 with: submodules: true lfs: ${{ inputs.BUILD_TYPE == 'integrated_tests' }} @@ -72,7 +100,7 @@ jobs: - id: 'auth' if: ${{ inputs.GCP_BUCKET || inputs.USE_SCCACHE }} - uses: 'google-github-actions/auth@v2.1.0' + uses: 'google-github-actions/auth@v2.1.2' with: credentials_json: '${{ secrets.GOOGLE_CLOUD_GCP }}' create_credentials_file: true @@ -93,7 +121,20 @@ jobs: docker_args=() script_args=() + if [[ -n "${{ inputs.DOCKER_CERTS_DIR }}" ]]; then + DOCKER_CERTS_DIR=${{ inputs.DOCKER_CERTS_DIR }} + docker_args+=(-e DOCKER_CERTS_DIR=${DOCKER_CERTS_DIR}) + fi + + if [[ -n "${{ inputs.DOCKER_CERTS_UPDATE_COMMAND }}" ]]; then + DOCKER_CERTS_UPDATE_COMMAND=${{ inputs.DOCKER_CERTS_UPDATE_COMMAND }} + docker_args+=(-e DOCKER_CERTS_UPDATE_COMMAND=${DOCKER_CERTS_UPDATE_COMMAND}) + fi + if [[ -n "${{ inputs.NPROC }}" ]]; then + NPROC=${{ inputs.NPROC }} + script_args+=(--nproc ${NPROC}) + fi docker_args+=(${{ inputs.DOCKER_RUN_ARGS }}) @@ -128,11 +169,6 @@ jobs: script_args+=(--sccache-credentials $(basename ${GOOGLE_GHA_CREDS_PATH})) fi - if [ ${{ inputs.RUNS_ON }} == 'streak' ] || [ ${{ inputs.RUNS_ON }} == 'streak2' ]; then - RUNNER_CERTIFICATES_DIR=/etc/pki/ca-trust/source/anchors/ - mkdir -p ${GITHUB_WORKSPACE}/certificates - cp ${RUNNER_CERTIFICATES_DIR}/*.crt* ${GITHUB_WORKSPACE}/certificates - fi # We need to know where the code folder is mounted inside the container so we can run the script at the proper location! # Since this information is repeated twice, we use a variable. GITHUB_WORKSPACE_MOUNT_POINT=/tmp/geos @@ -154,7 +190,8 @@ jobs: script_args+=(--cmake-build-type ${{ inputs.CMAKE_BUILD_TYPE }}) script_args+=(${{ inputs.BUILD_AND_TEST_CLI_ARGS }}) - + + DOCKER_REPOSITORY=${{ inputs.DOCKER_REPOSITORY }} SPLIT_DOCKER_REPOSITORY=(${DOCKER_REPOSITORY//// }) CONTAINER_NAME=geosx_build_${SPLIT_DOCKER_REPOSITORY[1]}_${GITHUB_SHA:0:7} echo "CONTAINER_NAME: ${CONTAINER_NAME}" @@ -168,6 +205,14 @@ jobs: script_args+=(--code-coverage) fi + + echo running "docker run \ + ${docker_args[@]} \ + -h=`hostname` \ + ${{ inputs.DOCKER_REPOSITORY }}:${{ inputs.DOCKER_IMAGE_TAG }} \ + ${GITHUB_WORKSPACE_MOUNT_POINT}/scripts/ci_build_and_test_in_container.sh \ + ${script_args[@]}" + # In case of integrated tests run, we still want to send the results to the cloud for inspection. # While for standard build (if even possible), pushing a failed build would be pointless. # GHA set `-e` to bash scripts by default to fail asap, @@ -186,8 +231,25 @@ jobs: # Send to the bucket and print the download link when it makes sense. if [[ ! -z "${{ inputs.GCP_BUCKET }}" ]]; then if [[ "${{ inputs.BUILD_TYPE }}" = "integrated_tests" || ${EXIT_STATUS} -eq 0 ]]; then - CLOUDSDK_PYTHON=python3 gsutil cp -a public-read ${DATA_EXCHANGE_DIR}/${DATA_BASENAME} gs://${{ inputs.GCP_BUCKET }}/ - echo "Download the bundle at https://storage.googleapis.com/${{ inputs.GCP_BUCKET }}/${DATA_BASENAME}" + if [ -f ${DATA_EXCHANGE_DIR}/${DATA_BASENAME} ]; then + CLOUDSDK_PYTHON=python3 gsutil cp -a public-read ${DATA_EXCHANGE_DIR}/${DATA_BASENAME} gs://${{ inputs.GCP_BUCKET }}/ + echo "Download the bundle at https://storage.googleapis.com/${{ inputs.GCP_BUCKET }}/${DATA_BASENAME}" + fi + + if [ -f ${DATA_EXCHANGE_DIR}/test_logs_${DATA_BASENAME} ]; then + CLOUDSDK_PYTHON=python3 gsutil cp -a public-read ${DATA_EXCHANGE_DIR}/test_logs_${DATA_BASENAME} gs://${{ inputs.GCP_BUCKET }}/ + echo "Download integrated test logs here: https://storage.googleapis.com/${{ inputs.GCP_BUCKET }}/test_logs_${DATA_BASENAME}" + fi + + # if $UPLOAD_BASELINES; then + if [ -f ${DATA_EXCHANGE_DIR}/baseline_${DATA_BASENAME} ];then + CLOUDSDK_PYTHON=python3 gsutil cp -a public-read ${DATA_EXCHANGE_DIR}/baseline_${DATA_BASENAME} gs://${{ inputs.GCP_BUCKET }}/ + echo "Download test baselines here: https://storage.googleapis.com/${{ inputs.GCP_BUCKET }}/baseline_${DATA_BASENAME}" + echo "New baseline ID: baseline_${DATA_BASENAME::-7}" + else + echo "Baselines ${DATA_EXCHANGE_DIR}/baseline_${DATA_BASENAME} were not uploaded. Likeyly because no rebaseline was necessary." + fi + # fi fi fi @@ -200,7 +262,7 @@ jobs: - name: Upload coverage to Codecov if: inputs.CODE_COVERAGE - uses: codecov/codecov-action@v4.0.1 + uses: codecov/codecov-action@v4.3.1 with: files: geos_coverage.info.cleaned fail_ci_if_error: true diff --git a/.github/workflows/ci_tests.yml b/.github/workflows/ci_tests.yml index 7bd8128679c..796334d378c 100644 --- a/.github/workflows/ci_tests.yml +++ b/.github/workflows/ci_tests.yml @@ -23,7 +23,6 @@ jobs: runs-on: ubuntu-22.04 outputs: DOCKER_IMAGE_TAG: ${{ steps.extract_docker_image_tag.outputs.DOCKER_IMAGE_TAG }} - LABELS: ${{ steps.extract_pr_info.outputs.LABELS }} steps: - name: Check that the PR is not a draft (cancel rest of jobs otherwise) id: extract_pr_info @@ -37,17 +36,12 @@ jobs: draft_status=$(echo ${pr_json} | jq '.draft') echo "Draft status of PR is ${draft_status}." if [[ $draft_status == true ]]; then exit 1 ; fi - - # If the workflow is meant to continue, we extract additional information for the json of the pr. - echo "LABELS=$(echo ${pr_json} | jq -crM '[.labels[].name]')" >> "$GITHUB_OUTPUT" - else - echo "LABELS=['ci: ready to be merged']" >> "$GITHUB_OUTPUT" fi # The TPL tag is contained in the codespaces configuration to avoid duplications. - name: Checkout .devcontainer/devcontainer.json - uses: actions/checkout@v4.1.1 + uses: actions/checkout@v4.1.4 with: sparse-checkout: | .devcontainer/devcontainer.json @@ -83,7 +77,7 @@ jobs: # The integrated test submodule repository contains large data (using git lfs). # To save time (and money) we do not let Github Actions automatically clone all our (lfs) subrepositories and do it by hand. - name: Checkout Repository - uses: actions/checkout@v4.1.1 + uses: actions/checkout@v4.1.4 with: # Let script update submodules; Github Actions submodule history causes error submodules: false @@ -194,7 +188,6 @@ jobs: needs: - is_not_draft_pull_request - cpu_builds - if: "${{ contains( fromJSON( needs.is_not_draft_pull_request.outputs.LABELS ), 'ci: run integrated tests') || github.event_name != 'pull_request' }}" uses: ./.github/workflows/build_and_test.yml secrets: inherit with: @@ -207,7 +200,27 @@ jobs: ENABLE_TRILINOS: OFF GCP_BUCKET: geosx/integratedTests RUNS_ON: streak2 - DOCKER_RUN_ARGS: "--cpus=32 --memory=384g" + NPROC: 32 + DOCKER_RUN_ARGS: "--cpus=32 --memory=384g -v /etc/pki/ca-trust/source/anchors/:/usr/local/share/ca-certificates/llnl:ro" + DOCKER_CERTS_DIR: "/usr/local/share/ca-certificates" + DOCKER_CERTS_UPDATE_COMMAND: "update-ca-certificates" + REQUIRED_LABEL: "ci: run integrated tests" + UPLOAD_BASELINES: "ci: upload test baselines" + + baseline_log: + needs: [is_not_draft_pull_request] + runs-on: ubuntu-22.04 + steps: + - name: Checkout Repository + uses: actions/checkout@v4.1.1 + with: + submodules: false + lfs: false + fetch-depth: 0 + sparse-checkout: | + scripts + - name: Check that the baseline logs are modified if rebaselines are detected + run: "scripts/check_baseline_log.sh" code_coverage: needs: @@ -231,7 +244,6 @@ jobs: name: ${{ matrix.name }} needs: - is_not_draft_pull_request - if: "${{ contains( fromJSON( needs.is_not_draft_pull_request.outputs.LABELS ), 'ci: ready to be merged') }}" strategy: # In-progress jobs will not be cancelled if there is a failure fail-fast : false @@ -244,8 +256,12 @@ jobs: ENABLE_HYPRE_DEVICE: CUDA ENABLE_HYPRE: ON ENABLE_TRILINOS: OFF - RUNS_ON: Runner_8core_32GB - + RUNS_ON: streak2 + NPROC: 16 + DOCKER_RUN_ARGS: "--cpus=16 --memory=256g --runtime=nvidia -v /etc/pki/ca-trust/source/anchors/:/usr/local/share/ca-certificates/llnl:ro" + DOCKER_CERTS_DIR: "/usr/local/share/ca-certificates" + DOCKER_CERTS_UPDATE_COMMAND: "update-ca-certificates" + - name: Ubuntu CUDA (20.04, clang 10.0.0 + gcc 9.4.0, open-mpi 4.0.3, cuda-11.8.89) BUILD_AND_TEST_CLI_ARGS: "--no-install-schema" CMAKE_BUILD_TYPE: Release @@ -254,13 +270,20 @@ jobs: ENABLE_HYPRE: ON ENABLE_TRILINOS: OFF RUNS_ON: streak - DOCKER_RUN_ARGS: "--cpus=8 --memory=256g --runtime=nvidia --gpus all" + NPROC: 8 + DOCKER_RUN_ARGS: "--cpus=8 --memory=256g --runtime=nvidia --gpus all -v /etc/pki/ca-trust/source/anchors/:/usr/local/share/ca-certificates/llnl:ro" + DOCKER_CERTS_DIR: "/usr/local/share/ca-certificates" + DOCKER_CERTS_UPDATE_COMMAND: "update-ca-certificates" - name: Centos (7.7, gcc 8.3.1, open-mpi 1.10.7, cuda 11.8.89) BUILD_AND_TEST_CLI_ARGS: "--no-run-unit-tests --no-install-schema" CMAKE_BUILD_TYPE: Release DOCKER_REPOSITORY: geosx/centos7.7-gcc8.3.1-cuda11.8.89 - RUNS_ON: Runner_4core_16GB + RUNS_ON: streak2 + NPROC: 16 + DOCKER_RUN_ARGS: "--cpus=16 --memory=256g --runtime=nvidia -v /etc/pki/ca-trust/source/anchors/:/etc/pki/ca-trust/source/anchors/llnl:ro" + DOCKER_CERTS_DIR: "/etc/pki/ca-trust/source/anchors" + DOCKER_CERTS_UPDATE_COMMAND: "update-ca-trust" # Below this line, jobs that deploy to Google Cloud. - name: Pecan GPU (centos 7.7, gcc 8.2.0, open-mpi 4.0.1, mkl 2019.5, cuda 11.5.119) @@ -285,6 +308,8 @@ jobs: with: BUILD_AND_TEST_CLI_ARGS: ${{ matrix.BUILD_AND_TEST_CLI_ARGS }} CMAKE_BUILD_TYPE: ${{ matrix.CMAKE_BUILD_TYPE }} + DOCKER_CERTS_DIR: ${{ matrix.DOCKER_CERTS_DIR }} + DOCKER_CERTS_UPDATE_COMMAND: ${{ matrix.DOCKER_CERTS_UPDATE_COMMAND }} DOCKER_IMAGE_TAG: ${{ needs.is_not_draft_pull_request.outputs.DOCKER_IMAGE_TAG }} DOCKER_REPOSITORY: ${{ matrix.DOCKER_REPOSITORY }} DOCKER_RUN_ARGS: ${{ matrix.DOCKER_RUN_ARGS }} @@ -293,7 +318,9 @@ jobs: ENABLE_TRILINOS: ${{ matrix.ENABLE_TRILINOS }} GCP_BUCKET: ${{ matrix.GCP_BUCKET }} HOST_CONFIG: ${{ matrix.HOST_CONFIG }} + NPROC: ${{ matrix.NPROC }} RUNS_ON: ${{ matrix.RUNS_ON }} + REQUIRED_LABEL: "ci: ready to be merged" secrets: inherit # Convenience job - passes when all other jobs have passed (must pass the CUDA jobs). diff --git a/.gitmodules b/.gitmodules index a2d2fa8ccf5..029ba71a9ab 100644 --- a/.gitmodules +++ b/.gitmodules @@ -7,9 +7,6 @@ [submodule "src/coreComponents/constitutive/PVTPackage"] path = src/coreComponents/constitutive/PVTPackage url = ../../GEOS-DEV/PVTPackage.git -[submodule "integratedTests"] - path = integratedTests - url = ../../GEOS-DEV/integratedTests.git [submodule "src/coreComponents/fileIO/coupling/hdf5_interface"] path = src/coreComponents/fileIO/coupling/hdf5_interface url = ../../GEOS-DEV/hdf5_interface.git diff --git a/.integrated_tests.yaml b/.integrated_tests.yaml new file mode 100644 index 00000000000..23e853a1ca5 --- /dev/null +++ b/.integrated_tests.yaml @@ -0,0 +1,8 @@ +--- +baselines: + bucket: geosx + baseline: integratedTests/baseline_integratedTests-pr3105-4885-a1a85c1 + +allow_fail: + all: '' + streak: pennyShapedToughnessDominated_smoke_01,pennyShapedViscosityDominated_smoke_01,pknViscosityDominated_smoke_01 diff --git a/.readthedocs.yml b/.readthedocs.yml index cac04680e9d..55160e32db1 100644 --- a/.readthedocs.yml +++ b/.readthedocs.yml @@ -33,5 +33,4 @@ formats: all submodules: include: - src/coreComponents/constitutive/PVTPackage - - integratedTests recursive: true diff --git a/BASELINE_NOTES.md b/BASELINE_NOTES.md new file mode 100644 index 00000000000..5dc380ae47a --- /dev/null +++ b/BASELINE_NOTES.md @@ -0,0 +1,26 @@ + +Notes +========== + +This file is designed to track changes to the integrated test baselines. +Any developer who updates the baseline ID in the .integrated_tests.yaml file is expected to create an entry in this file with the pull request number, date, and their justification for rebaselining. +These notes should be in reverse-chronological order, and use the following time format: (YYYY-MM-DD). + +PR #3105 (2024-05-08) +====================== + +Added missing derivative for temperature, hence small numerical diffs in thermal tests results and numeracal behavior + + +PR #2917 (2024-05-07) +====================== + +New fields for wellsControls: wellControls1_ConstantMassRate_table, targetMassRate, massDensity, ... + + +PR #3044 (2024-05-02) +====================== + +Removed old integratedTests submodule +Implemented new baseline storage +Implemented new CI integrated tests diff --git a/host-configs/LLNL/quartz-base.cmake b/host-configs/LLNL/quartz-base.cmake index 38047f8e0ce..e01eb428fc4 100644 --- a/host-configs/LLNL/quartz-base.cmake +++ b/host-configs/LLNL/quartz-base.cmake @@ -58,9 +58,9 @@ set(MKL_LIBRARIES ${MKL_ROOT}/lib/intel64/libmkl_intel_lp64.so # ATS set(ATS_ARGUMENTS "--machine slurm36" CACHE STRING "") -# set(USER $ENV{USER} CACHE STRING "") -# set(ATS_WORKING_DIR "/p/lustre2/${USER}/integratedTests/${CONFIG_NAME}" CACHE PATH "") -# set(ATS_BASELINE_DIR "/p/lustre2/${USER}/integratedTests/baselines" CACHE PATH "") +set(USER $ENV{USER} CACHE STRING "") +set(ATS_WORKING_DIR "/p/lustre2/${USER}/integratedTestsGEOS/${CONFIG_NAME}" CACHE PATH "") +set(ATS_BASELINE_DIR "/p/lustre2/${USER}/integratedTestsGEOS/baselines" CACHE PATH "") # Temporary argument for python module change testing # set(GEOS_PYTHON_PACKAGES_BRANCH "feature/sherman/outOfPlaceATS" CACHE STRING "" FORCE) diff --git a/inputFiles/compositionalMultiphaseWell/benchmarks/Class09Pb3/class09_pb3_benchmark_mc.xml b/inputFiles/compositionalMultiphaseWell/benchmarks/Class09Pb3/class09_pb3_benchmark_mc.xml new file mode 100644 index 00000000000..b4edabaad3d --- /dev/null +++ b/inputFiles/compositionalMultiphaseWell/benchmarks/Class09Pb3/class09_pb3_benchmark_mc.xml @@ -0,0 +1,111 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/inputFiles/compositionalMultiphaseWell/benchmarks/Class09Pb3/class09_pb3_benchmark_mct.xml b/inputFiles/compositionalMultiphaseWell/benchmarks/Class09Pb3/class09_pb3_benchmark_mct.xml new file mode 100644 index 00000000000..14378119874 --- /dev/null +++ b/inputFiles/compositionalMultiphaseWell/benchmarks/Class09Pb3/class09_pb3_benchmark_mct.xml @@ -0,0 +1,111 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/inputFiles/compositionalMultiphaseWell/benchmarks/Class09Pb3/class09_pb3_drainageOnly_iterative_base.xml b/inputFiles/compositionalMultiphaseWell/benchmarks/Class09Pb3/class09_pb3_drainageOnly_iterative_base.xml index 54cffee9212..92890413f4a 100644 --- a/inputFiles/compositionalMultiphaseWell/benchmarks/Class09Pb3/class09_pb3_drainageOnly_iterative_base.xml +++ b/inputFiles/compositionalMultiphaseWell/benchmarks/Class09Pb3/class09_pb3_drainageOnly_iterative_base.xml @@ -54,6 +54,34 @@ targetTotalRateTableName="totalRateTable" injectionTemperature="353.15" injectionStream="{ 1.0, 0.0 }"/> + + @@ -220,6 +248,12 @@ values="{ 8.02849025 , 0, 0}" interpolation="lower"/> + diff --git a/inputFiles/lagrangianContactMechanics/ContactMechanics_SimpleCubes_base.xml b/inputFiles/lagrangianContactMechanics/ContactMechanics_SimpleCubes_base.xml index a36624ce39c..0c293f01565 100644 --- a/inputFiles/lagrangianContactMechanics/ContactMechanics_SimpleCubes_base.xml +++ b/inputFiles/lagrangianContactMechanics/ContactMechanics_SimpleCubes_base.xml @@ -13,8 +13,9 @@ $tempdir/log_check.txt + cat $tempdir/log_check.txt + + if grep -q "Overall status: PASSED" "$tempdir/log_check.txt"; then + echo "IntegratedTests passed. No rebaseline required." + INTEGRATED_TEST_EXIT_STATUS=0 + else + echo "IntegratedTests failed. Rebaseline is required." + + # Rebaseline and pack into an archive + echo "Rebaselining..." + integratedTests/geos_ats.sh -a rebaselinefailed + + echo "Packing baselines..." + integratedTests/geos_ats.sh -a pack_baselines --baselineArchiveName ${DATA_EXCHANGE_DIR}/baseline_${DATA_BASENAME_WE}.tar.gz --baselineCacheDirectory ${DATA_EXCHANGE_DIR} + INTEGRATED_TEST_EXIT_STATUS=1 + fi + + echo "Done!" + + # INTEGRATED_TEST_EXIT_STATUS=$? + echo "The return code of the integrated tests is ${INTEGRATED_TEST_EXIT_STATUS}" fi # Cleaning the build directory. diff --git a/scripts/setupPythonEnvironment.bash b/scripts/setupPythonEnvironment.bash index edd5c91296f..eb1dcfaaaff 100755 --- a/scripts/setupPythonEnvironment.bash +++ b/scripts/setupPythonEnvironment.bash @@ -22,6 +22,9 @@ declare -a LINK_SCRIPTS=("preprocess_xml" "convert_abaqus" "run_geos_ats" "setup_ats_environment" + "geos_ats_log_check" + "geos_ats_restart_check" + "geos_ats_curve_check" "activate" "python") diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index 7fb71e7cbe9..61c5fc427e2 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -232,6 +232,10 @@ install( FILES ${CMAKE_BINARY_DIR}/schema.xsd ################################ # Add python environment setup ################################ +# message(WARNING "Temporarily changing the geosPythonBranch to feature/sherman/baselineStorage") +# set(GEOS_PYTHON_PACKAGES_BRANCH "branch name" CACHE STRING "" FORCE) + + if ( Python3_EXECUTABLE ) message(STATUS "Found python version ${Python3_VERSION}") if (${Python3_VERSION} VERSION_LESS "3.6.0") diff --git a/src/coreComponents/constitutive/CMakeLists.txt b/src/coreComponents/constitutive/CMakeLists.txt index 28ff5208229..7420efea9d3 100644 --- a/src/coreComponents/constitutive/CMakeLists.txt +++ b/src/coreComponents/constitutive/CMakeLists.txt @@ -62,6 +62,7 @@ set( constitutive_headers fluid/multifluid/CO2Brine/functions/SpanWagnerCO2Density.hpp fluid/multifluid/CO2Brine/functions/WaterDensity.hpp fluid/multifluid/compositional/functions/CompositionalProperties.hpp + fluid/multifluid/compositional/functions/CompositionalPropertiesImpl.hpp fluid/multifluid/compositional/functions/CubicEOSPhaseModel.hpp fluid/multifluid/compositional/functions/KValueInitialization.hpp fluid/multifluid/compositional/functions/NegativeTwoPhaseFlash.hpp @@ -70,6 +71,8 @@ set( constitutive_headers fluid/multifluid/compositional/models/CompositionalDensity.hpp fluid/multifluid/compositional/models/ConstantViscosity.hpp fluid/multifluid/compositional/models/FunctionBase.hpp + fluid/multifluid/compositional/models/LohrenzBrayClarkViscosity.hpp + fluid/multifluid/compositional/models/LohrenzBrayClarkViscosityImpl.hpp fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.hpp fluid/multifluid/compositional/models/NullModel.hpp fluid/multifluid/compositional/models/PhaseModel.hpp @@ -214,13 +217,16 @@ set( constitutive_sources fluid/multifluid/CO2Brine/functions/CO2EOSSolver.cpp fluid/multifluid/CO2Brine/functions/PureWaterProperties.cpp fluid/multifluid/CO2Brine/functions/WaterDensity.cpp - fluid/multifluid/compositional/functions/CompositionalProperties.cpp fluid/multifluid/compositional/models/CompositionalDensity.cpp fluid/multifluid/compositional/models/ConstantViscosity.cpp + fluid/multifluid/compositional/models/LohrenzBrayClarkViscosity.cpp fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.cpp fluid/multifluid/compositional/CompositionalMultiphaseFluid.cpp fluid/multifluid/compositional/CompositionalMultiphaseFluidUpdates.cpp - fluid/multifluid/compositional/PVTDriverRunTestCompositionalMultiphaseFluid.cpp + fluid/multifluid/compositional/PVTDriverRunTestCompositionalPR.cpp + fluid/multifluid/compositional/PVTDriverRunTestCompositionalPRLBC.cpp + fluid/multifluid/compositional/PVTDriverRunTestCompositionalSRK.cpp + fluid/multifluid/compositional/PVTDriverRunTestCompositionalSRKLBC.cpp fluid/multifluid/reactive/ReactiveBrineFluid.cpp fluid/multifluid/reactive/ReactiveMultiFluid.cpp fluid/multifluid/reactive/ReactiveFluidDriver.cpp @@ -253,10 +259,10 @@ set( constitutive_sources relativePermeability/VanGenuchtenStone2RelativePermeability.cpp relativePermeability/RelpermDriver.cpp relativePermeability/RelpermDriverBrooksCoreyBakerRunTest.cpp - relativePermeability/RelpermDriverBrooksCoreyStone2RunTest.cpp + relativePermeability/RelpermDriverBrooksCoreyStone2RunTest.cpp relativePermeability/RelpermDriverBrooksCoreyRunTest.cpp relativePermeability/RelpermDriverVanGenuchtenBakerRunTest.cpp - relativePermeability/RelpermDriverVanGenuchtenStone2RunTest.cpp + relativePermeability/RelpermDriverVanGenuchtenStone2RunTest.cpp relativePermeability/RelpermDriverTableRelativeRunTest.cpp relativePermeability/RelpermDriverTableRelativeHysteresisRunTest.cpp solid/CompressibleSolid.cpp @@ -300,7 +306,8 @@ if( ENABLE_PVTPackage ) set( constitutive_sources ${constitutive_sources} - fluid/multifluid/compositional/CompositionalMultiphaseFluidPVTPackage.cpp ) + fluid/multifluid/compositional/CompositionalMultiphaseFluidPVTPackage.cpp + fluid/multifluid/compositional/PVTDriverRunTestCompositionalMultiphaseFluid.cpp ) add_subdirectory( PVTPackage ) diff --git a/src/coreComponents/constitutive/docs/PVTDriver.rst b/src/coreComponents/constitutive/docs/PVTDriver.rst index c0b46436a7d..ae9563480c1 100644 --- a/src/coreComponents/constitutive/docs/PVTDriver.rst +++ b/src/coreComponents/constitutive/docs/PVTDriver.rst @@ -107,6 +107,7 @@ In this case, we have a two-phase, two-component mixture. The total density is reported in column 4, while phase fractions, phase densities, and phase viscosities are reported in subsequent columns. If the ``outputCompressibility`` flag is activated, an extra column will be added for the total fluid compressibility after the density. This is defined as :math:`c_t=\frac{1}{\rho_t}\left(\partial{\rho_t}/\partial P\right)` where :math:`\rho_t` is the total density. +If the ``outputMassDensity`` flag is activated, extra columns will be added for the mass density of each phase. The number of columns will also depend on whether the ``outputPhaseComposition`` flag is activated or not. If it is activated, there will be an extra column for the mole fraction of each component in each phase. The phase order will match the one defined in the input XML (here, the co2-rich phase followed by the water-rich phase). This file can be readily plotted using any number of plotting tools. Each row corresponds to one timestep of the driver, starting from initial conditions in the first row. diff --git a/src/coreComponents/constitutive/fluid/multifluid/CO2Brine/CO2BrineFluid.cpp b/src/coreComponents/constitutive/fluid/multifluid/CO2Brine/CO2BrineFluid.cpp index 01e210d20a1..a61f15bbe52 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/CO2Brine/CO2BrineFluid.cpp +++ b/src/coreComponents/constitutive/fluid/multifluid/CO2Brine/CO2BrineFluid.cpp @@ -194,7 +194,7 @@ void CO2BrineFluid< PHASE1, PHASE2, FLASH >::checkTablesParameters( real64 const template< typename PHASE1, typename PHASE2, typename FLASH > void CO2BrineFluid< PHASE1, PHASE2, FLASH >::initializePreSubGroups() { - GEOS_THROW_IF( this->catalogName() == CO2BrineEzrokhiThermalFluid::catalogName(), + GEOS_THROW_IF( this->getCatalogName() == CO2BrineEzrokhiThermalFluid::catalogName(), GEOS_FMT( "The `{}` model is disabled for now. Please use the other thermal CO2-brine model instead: `{}`", CO2BrineEzrokhiThermalFluid::catalogName(), CO2BrinePhillipsThermalFluid::catalogName() ), diff --git a/src/coreComponents/constitutive/fluid/multifluid/MultiFluidBase.hpp b/src/coreComponents/constitutive/fluid/multifluid/MultiFluidBase.hpp index a221fa6ed0b..e31d513cd3b 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/MultiFluidBase.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/MultiFluidBase.hpp @@ -1047,6 +1047,7 @@ MultiFluidBase::KernelWrapper:: { integer const numPhase = numPhases(); integer const numComp = numComponents(); + integer const numDOF = numComp + 2; for( integer ip = 0; ip < numPhase; ++ip ) { @@ -1059,7 +1060,7 @@ MultiFluidBase::KernelWrapper:: real64 const densInv = 1.0 / phaseMassDens.value[ip]; real64 const densInvSquared = densInv * densInv; phaseInternalEnergy.value[ip] = phaseEnthalpy.value[ip] - pressure * densInv; - for( integer idof = 0; idof < numComp; ++idof ) + for( integer idof = 0; idof < numDOF; ++idof ) { phaseInternalEnergy.derivs[ip][idof] = phaseEnthalpy.derivs[ip][idof] + pressure * phaseMassDens.derivs[ip][idof] * densInvSquared; } diff --git a/src/coreComponents/constitutive/fluid/multifluid/MultiFluidConstants.hpp b/src/coreComponents/constitutive/fluid/multifluid/MultiFluidConstants.hpp index 4f69f3efa17..24055925e16 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/MultiFluidConstants.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/MultiFluidConstants.hpp @@ -49,7 +49,7 @@ struct MultiFluidConstants /** * @brief Max number of SSI iterations */ - static constexpr integer maxSSIIterations = 200; + static constexpr integer maxSSIIterations = 1000; /** * @brief Max number of Newton iterations diff --git a/src/coreComponents/constitutive/fluid/multifluid/MultiFluidSelector.hpp b/src/coreComponents/constitutive/fluid/multifluid/MultiFluidSelector.hpp index 6eeb7e4dd79..b7a71a3d9ca 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/MultiFluidSelector.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/MultiFluidSelector.hpp @@ -43,6 +43,8 @@ void constitutiveUpdatePassThru( MultiFluidBase const & fluid, BlackOilFluid, CompositionalTwoPhasePengRobinsonConstantViscosity, CompositionalTwoPhaseSoaveRedlichKwongConstantViscosity, +// CompositionalTwoPhasePengRobinsonLBCViscosity, +// CompositionalTwoPhaseSoaveRedlichKwongLBCViscosity, #ifdef GEOSX_USE_PVTPackage CompositionalMultiphaseFluidPVTPackage, #endif @@ -62,6 +64,8 @@ void constitutiveUpdatePassThru( MultiFluidBase & fluid, BlackOilFluid, CompositionalTwoPhasePengRobinsonConstantViscosity, CompositionalTwoPhaseSoaveRedlichKwongConstantViscosity, +// CompositionalTwoPhasePengRobinsonLBCViscosity, +// CompositionalTwoPhaseSoaveRedlichKwongLBCViscosity, #ifdef GEOSX_USE_PVTPackage CompositionalMultiphaseFluidPVTPackage, #endif diff --git a/src/coreComponents/constitutive/fluid/multifluid/MultiFluidUtils.hpp b/src/coreComponents/constitutive/fluid/multifluid/MultiFluidUtils.hpp index 6f3db3ca97f..e911cc5260e 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/MultiFluidUtils.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/MultiFluidUtils.hpp @@ -63,6 +63,8 @@ struct MultiFluidVarSlice internal::ArraySliceOrRef< T, DIM, USD > value; /// variable value internal::ArraySliceOrRef< T, DIM + 1, USD_DC > derivs; /// derivative w.r.t. pressure, temperature, compositions + + using ValueType = internal::ArraySliceOrRef< T, DIM, USD >; }; /** @@ -87,13 +89,15 @@ struct MultiFluidVarView ArrayView< T, NDIM + 1, USD_DC > const & derivsSrc ): value( valueSrc ), derivs( derivsSrc ) - {}; + {} ArrayView< T, NDIM, USD > value; ///< View into property values ArrayView< T, NDIM + 1, USD_DC > derivs; ///< View into property derivatives w.r.t. pressure, temperature, compositions using SliceType = MultiFluidVarSlice< T, NDIM - 2, USD - 2, USD_DC - 2 >; + using ValueType = ArrayView< T, NDIM, USD >; + GEOS_HOST_DEVICE SliceType operator()( localIndex const k, localIndex const q ) const { @@ -119,6 +123,12 @@ struct MultiFluidVar using SliceType = typename ViewType::SliceType; using SliceTypeConst = typename ViewTypeConst::SliceType; + using ValueType = Array< real64, NDIM, PERM >; + template< int MAXSIZE > + using StackValueType = StackArray< real64, NDIM, MAXSIZE, PERM >; + using ViewValueType = typename ViewType::ValueType; + using SliceValueType = typename SliceType::ValueType; + ViewType toView() { return { value.toView(), derivs.toView() }; diff --git a/src/coreComponents/constitutive/fluid/multifluid/PVTDriver.cpp b/src/coreComponents/constitutive/fluid/multifluid/PVTDriver.cpp index ebee0639d42..b77ee54e653 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/PVTDriver.cpp +++ b/src/coreComponents/constitutive/fluid/multifluid/PVTDriver.cpp @@ -61,6 +61,11 @@ PVTDriver::PVTDriver( const string & name, setInputFlag( InputFlags::REQUIRED ). setDescription( "Function controlling temperature time history" ); + registerWrapper( viewKeyStruct::outputMassDensityString(), &m_outputMassDensity ). + setInputFlag( InputFlags::OPTIONAL ). + setApplyDefaultValue( 0 ). + setDescription( "Flag to indicate that the mass density of each phase should be output" ); + registerWrapper( viewKeyStruct::outputCompressibilityString(), &m_outputCompressibility ). setInputFlag( InputFlags::OPTIONAL ). setApplyDefaultValue( 0 ). @@ -90,6 +95,10 @@ PVTDriver::PVTDriver( const string & name, void PVTDriver::postProcessInput() { // Validate some inputs + GEOS_ERROR_IF( m_outputMassDensity != 0 && m_outputMassDensity != 1, + getWrapperDataContext( viewKeyStruct::outputMassDensityString() ) << + ": option can be either 0 (false) or 1 (true)" ); + GEOS_ERROR_IF( m_outputCompressibility != 0 && m_outputCompressibility != 1, getWrapperDataContext( viewKeyStruct::outputCompressibilityString() ) << ": option can be either 0 (false) or 1 (true)" ); @@ -112,6 +121,12 @@ void PVTDriver::postProcessInput() // Default column order = time, pressure, temp, totalDensity, phaseFraction_{1:NP}, phaseDensity_{1:NP}, phaseViscosity_{1:NP} integer numCols = 3*m_numPhases+4; + // If the mass density is requested then add NP columns + if( m_outputMassDensity != 0 ) + { + numCols += m_numPhases; + } + // If the total compressibility is requested then add a column if( m_outputCompressibility != 0 ) { @@ -185,6 +200,7 @@ bool PVTDriver::execute( real64 const GEOS_UNUSED_PARAM( time_n ), GEOS_LOG_RANK_0( " Steps .................. " << m_numSteps ); GEOS_LOG_RANK_0( " Output ................. " << m_outputFile ); GEOS_LOG_RANK_0( " Baseline ............... " << m_baselineFile ); + GEOS_LOG_RANK_0( " Output Mass Density .... " << m_outputMassDensity ); GEOS_LOG_RANK_0( " Output Compressibility . " << m_outputCompressibility ); GEOS_LOG_RANK_0( " Output Phase Comp. ..... " << m_outputPhaseComposition ); } @@ -248,6 +264,11 @@ void PVTDriver::outputResults() columnIndex += m_numPhases; fprintf( fp, "# columns %d-%d = phase densities\n", columnIndex+1, columnIndex + m_numPhases ); columnIndex += m_numPhases; + if( m_outputMassDensity != 0 ) + { + fprintf( fp, "# columns %d-%d = phase mass densities\n", columnIndex+1, columnIndex + m_numPhases ); + columnIndex += m_numPhases; + } fprintf( fp, "# columns %d-%d = phase viscosities\n", columnIndex+1, columnIndex + m_numPhases ); columnIndex += m_numPhases; diff --git a/src/coreComponents/constitutive/fluid/multifluid/PVTDriver.hpp b/src/coreComponents/constitutive/fluid/multifluid/PVTDriver.hpp index ed1c763571c..c81814ac5fd 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/PVTDriver.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/PVTDriver.hpp @@ -90,6 +90,7 @@ class PVTDriver : public TaskBase constexpr static char const * outputString() { return "output"; } constexpr static char const * baselineString() { return "baseline"; } constexpr static char const * feedString() { return "feedComposition"; } + constexpr static char const * outputMassDensityString() { return "outputMassDensity"; } constexpr static char const * outputCompressibilityString() { return "outputCompressibility"; } constexpr static char const * outputPhaseCompositionString() { return "outputPhaseComposition"; } }; @@ -102,6 +103,7 @@ class PVTDriver : public TaskBase string m_pressureFunctionName; ///< Time-dependent function controlling pressure string m_temperatureFunctionName; ///< Time-dependent function controlling temperature string m_outputFile; ///< Output file (optional, no output if not specified) + integer m_outputMassDensity{0}; ///< Flag to indicate that the mass density of each phase should be output integer m_outputCompressibility{0}; ///< Flag to indicate that the total compressibility should be output integer m_outputPhaseComposition{0}; ///< Flag to indicate that phase compositions should be output diff --git a/src/coreComponents/constitutive/fluid/multifluid/PVTDriverRunTest.hpp b/src/coreComponents/constitutive/fluid/multifluid/PVTDriverRunTest.hpp index da522d27913..8035817461c 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/PVTDriverRunTest.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/PVTDriverRunTest.hpp @@ -63,17 +63,23 @@ void PVTDriver::runTest( FLUID_TYPE & fluid, arrayView2d< real64 > const & table // perform fluid update using table (P,T) and save resulting total density, etc. // note: column indexing should be kept consistent with output file header below. + bool const outputMassDensity = (m_outputMassDensity != 0); + bool const outputCompressibility = (m_outputCompressibility != 0); + bool const outputPhaseComposition = (m_outputPhaseComposition != 0); + integer const numSteps = m_numSteps; - integer const outputCompressibility = m_outputCompressibility; - integer const outputPhaseComposition = m_outputPhaseComposition; using ExecPolicy = typename FLUID_TYPE::exec_policy; forAll< ExecPolicy >( composition.size( 0 ), - [ outputCompressibility, outputPhaseComposition, numPhases, numComponents, numSteps, kernelWrapper, - table, composition] + [outputMassDensity, outputCompressibility, outputPhaseComposition, + numPhases, numComponents, numSteps, kernelWrapper, + table, composition] GEOS_HOST_DEVICE ( localIndex const i ) { // Index for start of phase properties - integer const PHASE = outputCompressibility != 0 ? TEMP + 3 : TEMP + 2; + integer const PHASE_FRACTION = outputCompressibility ? TEMP + 3 : TEMP + 2; + integer const PHASE_DENSITY = PHASE_FRACTION + numPhases; + integer const PHASE_VISCOSITY = outputMassDensity ? PHASE_DENSITY + 2*numPhases : PHASE_DENSITY + numPhases; + integer const PHASE_COMP = PHASE_VISCOSITY + numPhases; // Temporary space for phase mole fractions stackArray1d< real64, constitutive::MultiFluidBase::MAX_NUM_COMPONENTS > phaseComposition( numComponents ); @@ -83,22 +89,29 @@ void PVTDriver::runTest( FLUID_TYPE & fluid, arrayView2d< real64 > const & table kernelWrapper.update( i, 0, table( n, PRES ), table( n, TEMP ), composition[i] ); table( n, TEMP + 1 ) = kernelWrapper.totalDensity()( i, 0 ); - if( outputCompressibility != 0 ) + if( outputCompressibility ) { table( n, TEMP + 2 ) = kernelWrapper.totalCompressibility( i, 0 ); } for( integer p = 0; p < numPhases; ++p ) { - table( n, PHASE + p ) = kernelWrapper.phaseFraction()( i, 0, p ); - table( n, PHASE + p + numPhases ) = kernelWrapper.phaseDensity()( i, 0, p ); - table( n, PHASE + p + 2 * numPhases ) = kernelWrapper.phaseViscosity()( i, 0, p ); + table( n, PHASE_FRACTION + p ) = kernelWrapper.phaseFraction()( i, 0, p ); + table( n, PHASE_DENSITY + p ) = kernelWrapper.phaseDensity()( i, 0, p ); + table( n, PHASE_VISCOSITY + p ) = kernelWrapper.phaseViscosity()( i, 0, p ); + } + if( outputMassDensity ) + { + for( integer p = 0; p < numPhases; ++p ) + { + table( n, PHASE_DENSITY + numPhases + p ) = kernelWrapper.phaseMassDensity()( i, 0, p ); + } } - if( outputPhaseComposition != 0 ) + if( outputPhaseComposition ) { for( integer p = 0; p < numPhases; ++p ) { - integer const compStartIndex = PHASE + 3 * numPhases + p * numComponents; + integer const compStartIndex = PHASE_COMP + p * numComponents; kernelWrapper.phaseCompMoleFraction( i, 0, p, phaseComposition ); for( integer ic = 0; ic < numComponents; ++ic ) diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.cpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.cpp index 9f9ec01ffbb..ac083badbd2 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.cpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.cpp @@ -19,11 +19,26 @@ #include "CompositionalMultiphaseFluid.hpp" #include "constitutive/fluid/multifluid/CO2Brine/functions/PVTFunctionHelpers.hpp" +#include "constitutive/fluid/multifluid/MultiFluidFields.hpp" #include "codingUtilities/Utilities.hpp" namespace geos { +namespace fields +{ +namespace multifluid +{ +DECLARE_FIELD( kValues, + "kValues", + array4dLayoutPhaseComp, + 0, + NOPLOT, + WRITE_AND_READ, + "Phase equilibrium ratios" ); +} +} + namespace constitutive { @@ -61,6 +76,8 @@ CompositionalMultiphaseFluid( string const & name, Group * const parent ) registerWrapper( viewKeyStruct::componentBinaryCoeffString(), &m_componentBinaryCoeff ). setInputFlag( InputFlags::OPTIONAL ). setDescription( "Table of binary interaction coefficients" ); + + registerField( fields::multifluid::kValues{}, &m_kValues ); } template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 > @@ -81,12 +98,22 @@ template<> struct PhaseName< 3 > { static constexpr char const * catalogName() { template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 > string CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::catalogName() { - return GEOS_FMT( "Compositonal{}Fluid{}{}", + return GEOS_FMT( "Compositional{}Fluid{}{}", compositional::PhaseName< FLASH::KernelWrapper::getNumberOfPhases() >::catalogName(), FLASH::catalogName(), PHASE1::Viscosity::catalogName() ); } +template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 > +void CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::allocateConstitutiveData( dataRepository::Group & parent, + localIndex const numConstitutivePointsPerParentIndex ) +{ + MultiFluidBase::allocateConstitutiveData( parent, numConstitutivePointsPerParentIndex ); + + // Zero k-Values to force initialisation with Wilson k-Values + m_kValues.zero(); +} + template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 > void CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::postProcessInput() { @@ -133,6 +160,30 @@ void CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::postProcessI m_componentBinaryCoeff.zero(); } checkInputSize( m_componentBinaryCoeff, NC * NC, viewKeyStruct::componentBinaryCoeffString() ); + + // Binary interaction coefficients should be symmetric and have zero diagonal + GEOS_THROW_IF_NE_MSG( m_componentBinaryCoeff.size( 0 ), NC, + GEOS_FMT( "{}: invalid number of values in attribute '{}'", getFullName(), viewKeyStruct::componentBinaryCoeffString() ), + InputError ); + GEOS_THROW_IF_NE_MSG( m_componentBinaryCoeff.size( 1 ), NC, + GEOS_FMT( "{}: invalid number of values in attribute '{}'", getFullName(), viewKeyStruct::componentBinaryCoeffString() ), + InputError ); + for( integer ic = 0; ic < NC; ++ic ) + { + GEOS_THROW_IF_GT_MSG( LvArray::math::abs( m_componentBinaryCoeff( ic, ic )), MultiFluidConstants::epsilon, + GEOS_FMT( "{}: {} entry at ({},{}) is {}: should be zero", getFullName(), viewKeyStruct::componentBinaryCoeffString(), + ic, ic, m_componentBinaryCoeff( ic, ic ) ), + InputError ); + for( integer jc = ic + 1; jc < NC; ++jc ) + { + real64 const difference = LvArray::math::abs( m_componentBinaryCoeff( ic, jc )-m_componentBinaryCoeff( jc, ic )); + GEOS_THROW_IF_GT_MSG( difference, MultiFluidConstants::epsilon, + GEOS_FMT( "{}: {} entry at ({},{}) is {} and is different from entry at ({},{}) which is {}", + getFullName(), viewKeyStruct::componentBinaryCoeffString(), + ic, jc, m_componentBinaryCoeff( ic, jc ), jc, ic, m_componentBinaryCoeff( jc, ic ) ), + InputError ); + } + } } template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 > @@ -144,6 +195,14 @@ void CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::initializePo createModels(); } +template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 > +void CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::resizeFields( localIndex const size, localIndex const numPts ) +{ + MultiFluidBase::resizeFields( size, numPts ); + + m_kValues.resize( size, numPts, numFluidPhases()-1, numFluidComponents() ); +} + template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 > std::unique_ptr< ConstitutiveBase > CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::deliverClone( string const & name, @@ -157,7 +216,6 @@ template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 > typename CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::KernelWrapper CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::createKernelWrapper() { - //auto phaseModels = std::make_tuple((m_phases)...); return KernelWrapper( *m_componentProperties, *m_flash, *m_phase1, @@ -172,7 +230,8 @@ CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::createKernelWrapp m_phaseEnthalpy.toView(), m_phaseInternalEnergy.toView(), m_phaseCompFraction.toView(), - m_totalDensity.toView() ); + m_totalDensity.toView(), + m_kValues.toView() ); } // Create the fluid models @@ -218,12 +277,20 @@ void CompositionalMultiphaseFluid< FLASH, PHASE1, PHASE2, PHASE3 >::calculateCri // Explicit instantiation of the model template. template class CompositionalMultiphaseFluid< compositional::NegativeTwoPhaseFlashPRPR, - compositional::PhaseModel< compositional::CompositionalDensity, compositional::ConstantViscosity, compositional::NullModel >, - compositional::PhaseModel< compositional::CompositionalDensity, compositional::ConstantViscosity, compositional::NullModel > >; + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSPR >, compositional::ConstantViscosity, compositional::NullModel >, + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSPR >, compositional::ConstantViscosity, compositional::NullModel > >; +template class CompositionalMultiphaseFluid< + compositional::NegativeTwoPhaseFlashSRKSRK, + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSSRK >, compositional::ConstantViscosity, compositional::NullModel >, + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSSRK >, compositional::ConstantViscosity, compositional::NullModel > >; +template class CompositionalMultiphaseFluid< + compositional::NegativeTwoPhaseFlashPRPR, + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSPR >, compositional::LohrenzBrayClarkViscosity, compositional::NullModel >, + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSPR >, compositional::LohrenzBrayClarkViscosity, compositional::NullModel > >; template class CompositionalMultiphaseFluid< compositional::NegativeTwoPhaseFlashSRKSRK, - compositional::PhaseModel< compositional::CompositionalDensity, compositional::ConstantViscosity, compositional::NullModel >, - compositional::PhaseModel< compositional::CompositionalDensity, compositional::ConstantViscosity, compositional::NullModel > >; + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSSRK >, compositional::LohrenzBrayClarkViscosity, compositional::NullModel >, + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSSRK >, compositional::LohrenzBrayClarkViscosity, compositional::NullModel > >; REGISTER_CATALOG_ENTRY( ConstitutiveBase, CompositionalTwoPhasePengRobinsonConstantViscosity, @@ -235,6 +302,16 @@ REGISTER_CATALOG_ENTRY( ConstitutiveBase, string const &, dataRepository::Group * const ) +REGISTER_CATALOG_ENTRY( ConstitutiveBase, + CompositionalTwoPhasePengRobinsonLBCViscosity, + string const &, + dataRepository::Group * const ) + +REGISTER_CATALOG_ENTRY( ConstitutiveBase, + CompositionalTwoPhaseSoaveRedlichKwongLBCViscosity, + string const &, + dataRepository::Group * const ) + } // namespace constitutive } // namespace geos diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.hpp index 2f2ddf4a790..57cbe7e7919 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.hpp @@ -22,6 +22,7 @@ #include "constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidUpdates.hpp" #include "constitutive/fluid/multifluid/compositional/models/ConstantViscosity.hpp" #include "constitutive/fluid/multifluid/compositional/models/CompositionalDensity.hpp" +#include "constitutive/fluid/multifluid/compositional/models/LohrenzBrayClarkViscosity.hpp" #include "constitutive/fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.hpp" #include "constitutive/fluid/multifluid/compositional/models/NullModel.hpp" #include "constitutive/fluid/multifluid/compositional/models/PhaseModel.hpp" @@ -77,6 +78,9 @@ class CompositionalMultiphaseFluid : public MultiFluidBase GEOS_UNUSED_VAR( pressure, temperature ); } + virtual void allocateConstitutiveData( dataRepository::Group & parent, + localIndex const numConstitutivePointsPerParentIndex ) override; + virtual integer getWaterPhaseIndex() const override final; struct viewKeyStruct : MultiFluidBase::viewKeyStruct @@ -104,6 +108,8 @@ class CompositionalMultiphaseFluid : public MultiFluidBase virtual void initializePostSubGroups() override; + virtual void resizeFields( localIndex const size, localIndex const numPts ) override; + private: /** * @brief Estimate critical volumes using Ihmels' (2010) correlation @@ -137,16 +143,27 @@ class CompositionalMultiphaseFluid : public MultiFluidBase array1d< real64 > m_componentAcentricFactor; array1d< real64 > m_componentVolumeShift; array2d< real64 > m_componentBinaryCoeff; + + // backup data + PhaseComp::ValueType m_kValues; }; -using CompositionalTwoPhasePengRobinsonConstantViscosity = CompositionalMultiphaseFluid< +using CompositionalTwoPhasePengRobinsonConstantViscosity = CompositionalMultiphaseFluid< + compositional::NegativeTwoPhaseFlashPRPR, + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSPR >, compositional::ConstantViscosity, compositional::NullModel >, + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSPR >, compositional::ConstantViscosity, compositional::NullModel > >; +using CompositionalTwoPhaseSoaveRedlichKwongConstantViscosity = CompositionalMultiphaseFluid< + compositional::NegativeTwoPhaseFlashSRKSRK, + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSSRK >, compositional::ConstantViscosity, compositional::NullModel >, + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSSRK >, compositional::ConstantViscosity, compositional::NullModel > >; +using CompositionalTwoPhasePengRobinsonLBCViscosity = CompositionalMultiphaseFluid< compositional::NegativeTwoPhaseFlashPRPR, - compositional::PhaseModel< compositional::CompositionalDensity, compositional::ConstantViscosity, compositional::NullModel >, - compositional::PhaseModel< compositional::CompositionalDensity, compositional::ConstantViscosity, compositional::NullModel > >; -using CompositionalTwoPhaseSoaveRedlichKwongConstantViscosity = CompositionalMultiphaseFluid< + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSPR >, compositional::LohrenzBrayClarkViscosity, compositional::NullModel >, + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSPR >, compositional::LohrenzBrayClarkViscosity, compositional::NullModel > >; +using CompositionalTwoPhaseSoaveRedlichKwongLBCViscosity = CompositionalMultiphaseFluid< compositional::NegativeTwoPhaseFlashSRKSRK, - compositional::PhaseModel< compositional::CompositionalDensity, compositional::ConstantViscosity, compositional::NullModel >, - compositional::PhaseModel< compositional::CompositionalDensity, compositional::ConstantViscosity, compositional::NullModel > >; + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSSRK >, compositional::LohrenzBrayClarkViscosity, compositional::NullModel >, + compositional::PhaseModel< compositional::CompositionalDensity< compositional::CubicEOSSRK >, compositional::LohrenzBrayClarkViscosity, compositional::NullModel > >; } /* namespace constitutive */ diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidPVTPackage.cpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidPVTPackage.cpp index 2a6faab23b4..17948157954 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidPVTPackage.cpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidPVTPackage.cpp @@ -45,6 +45,10 @@ CompositionalMultiphaseFluidPVTPackage::CompositionalMultiphaseFluidPVTPackage( setInputFlag( InputFlags::REQUIRED ). setDescription( "List of equation of state types for each phase" ); + registerWrapper( viewKeyStruct::constantPhaseViscosityString(), &m_constantPhaseViscosity ). + setInputFlag( InputFlags::OPTIONAL ). + setDescription( "Viscosity for each phase" ); + registerWrapper( viewKeyStruct::componentCriticalPressureString(), &m_componentCriticalPressure ). setInputFlag( InputFlags::REQUIRED ). setDescription( "Component critical pressures" ); @@ -104,7 +108,16 @@ void CompositionalMultiphaseFluidPVTPackage::postProcessInput() checkInputSize( m_componentCriticalPressure, NC, viewKeyStruct::componentCriticalPressureString() ); checkInputSize( m_componentCriticalTemperature, NC, viewKeyStruct::componentCriticalTemperatureString() ); checkInputSize( m_componentAcentricFactor, NC, viewKeyStruct::componentAcentricFactorString() ); - checkInputSize( m_equationsOfState, NP, viewKeyStruct::equationsOfStateString() ); + + if( m_constantPhaseViscosity.empty() ) + { + m_constantPhaseViscosity.resize( NP ); + for( integer ip = 0; ip < NP; ++ip ) + { + m_constantPhaseViscosity[ip] = 0.001; // Default value = 1 cP + } + } + checkInputSize( m_constantPhaseViscosity, NP, viewKeyStruct::constantPhaseViscosityString() ); if( m_componentVolumeShift.empty() ) { @@ -167,6 +180,7 @@ CompositionalMultiphaseFluidPVTPackage::deliverClone( string const & name, CompositionalMultiphaseFluidPVTPackage::KernelWrapper:: KernelWrapper( pvt::MultiphaseSystem & fluid, arrayView1d< pvt::PHASE_TYPE > const & phaseTypes, + arrayView1d< geos::real64 const > const & constantPhaseViscosity, arrayView1d< geos::real64 const > const & componentMolarWeight, bool useMass, PhaseProp::ViewType phaseFraction, @@ -188,7 +202,8 @@ CompositionalMultiphaseFluidPVTPackage::KernelWrapper:: std::move( phaseCompFraction ), std::move( totalDensity ) ), m_fluid( fluid ), - m_phaseTypes( phaseTypes ) + m_phaseTypes( phaseTypes ), + m_constantPhaseViscosity( constantPhaseViscosity ) {} CompositionalMultiphaseFluidPVTPackage::KernelWrapper @@ -196,6 +211,7 @@ CompositionalMultiphaseFluidPVTPackage::createKernelWrapper() { return KernelWrapper( *m_fluid, m_phaseTypes, + m_constantPhaseViscosity, m_componentMolarWeight, m_useMass, m_phaseFraction.toView(), diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidPVTPackage.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidPVTPackage.hpp index 1be5e7ccd4a..32c4af5957c 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidPVTPackage.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidPVTPackage.hpp @@ -64,6 +64,7 @@ class CompositionalMultiphaseFluidPVTPackage : public MultiFluidBase static constexpr char const * componentAcentricFactorString() { return "componentAcentricFactor"; } static constexpr char const * componentVolumeShiftString() { return "componentVolumeShift"; } static constexpr char const * componentBinaryCoeffString() { return "componentBinaryCoeff"; } + static constexpr char const * constantPhaseViscosityString() { return "constantPhaseViscosity"; } }; /** @@ -98,6 +99,7 @@ class CompositionalMultiphaseFluidPVTPackage : public MultiFluidBase KernelWrapper( pvt::MultiphaseSystem & fluid, arrayView1d< pvt::PHASE_TYPE > const & phaseTypes, + arrayView1d< real64 const > const & constantPhaseViscosity, arrayView1d< real64 const > const & componentMolarWeight, bool const useMass, PhaseProp::ViewType phaseFraction, @@ -112,6 +114,7 @@ class CompositionalMultiphaseFluidPVTPackage : public MultiFluidBase pvt::MultiphaseSystem & m_fluid; arrayView1d< pvt::PHASE_TYPE > m_phaseTypes; + arrayView1d< real64 const > m_constantPhaseViscosity; }; /** @@ -139,6 +142,9 @@ class CompositionalMultiphaseFluidPVTPackage : public MultiFluidBase // names of equations of state to use for each phase string_array m_equationsOfState; + // Phase viscosity + array1d< real64 > m_constantPhaseViscosity; + // standard EOS component input array1d< real64 > m_componentCriticalPressure; array1d< real64 > m_componentCriticalTemperature; @@ -239,7 +245,7 @@ CompositionalMultiphaseFluidPVTPackage::KernelWrapper:: phaseMassDensity.derivs[ip][Deriv::dT] = massDens.dT; // TODO - phaseViscosity.value[ip] = 0.001; + phaseViscosity.value[ip] = m_constantPhaseViscosity[ip]; phaseViscosity.derivs[ip][Deriv::dP] = 0.0; phaseViscosity.derivs[ip][Deriv::dT] = 0.0; diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidUpdates.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidUpdates.hpp index 3ccefa5bb16..73f2d4495a8 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidUpdates.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidUpdates.hpp @@ -54,7 +54,8 @@ class CompositionalMultiphaseFluidUpdates final : public MultiFluidBase::KernelW MultiFluidBase::PhaseProp::ViewType phaseEnthalpy, MultiFluidBase::PhaseProp::ViewType phaseInternalEnergy, MultiFluidBase::PhaseComp::ViewType phaseCompFrac, - MultiFluidBase::FluidProp::ViewType totalDensity ); + MultiFluidBase::FluidProp::ViewType totalDensity, + MultiFluidBase::PhaseComp::ViewValueType kValues ); GEOS_HOST_DEVICE virtual void compute( real64 const pressure, @@ -76,6 +77,43 @@ class CompositionalMultiphaseFluidUpdates final : public MultiFluidBase::KernelW real64 const temperature, arraySlice1d< real64 const, compflow::USD_COMP - 1 > const & composition ) const override; +protected: + GEOS_HOST_DEVICE + void compute( real64 const pressure, + real64 const temperature, + arraySlice1d< real64 const, compflow::USD_COMP - 1 > const & composition, + MultiFluidBase::PhaseProp::SliceType const phaseFrac, + MultiFluidBase::PhaseProp::SliceType const phaseDens, + MultiFluidBase::PhaseProp::SliceType const phaseMassDensity, + MultiFluidBase::PhaseProp::SliceType const phaseVisc, + MultiFluidBase::PhaseProp::SliceType const phaseEnthalpy, + MultiFluidBase::PhaseProp::SliceType const phaseInternalEnergy, + MultiFluidBase::PhaseComp::SliceType const phaseCompFrac, + MultiFluidBase::FluidProp::SliceType const totalDensity, + MultiFluidBase::PhaseComp::SliceType::ValueType const & kValues ) const; + + /** + * @brief Convert derivatives from phase mole fraction to total mole fraction + * @details Given property derivatives @c dProperty where composition derivatives are with + * respect to a phase compositions, this will transform that properties so that + * they the composition derivatives are with respect to total composition. The derivatives + * of the phase composition should be provided in @c dPhaseComposition. + * @param[in] numComps The number of components + * @param[in] dPhaseComposition Derivatives of the phase composition + * @param[in,out] dProperty The derivatives of the property + * @param[in] workSpace Temporary workspace + */ + template< int USD1, int USD2 > + GEOS_HOST_DEVICE + static void convertDerivativesToTotalMoleFraction( integer const numComps, + arraySlice2d< real64 const, USD1 > const & dPhaseComposition, + arraySlice1d< real64, USD2 > const & dProperty, + arraySlice1d< real64 > const & workSpace ); + + GEOS_HOST_DEVICE + GEOS_FORCE_INLINE + static void setZero( real64 & val ){ val = 0.0; } + private: // The component properties compositional::ComponentProperties::KernelWrapper m_componentProperties; @@ -87,6 +125,9 @@ class CompositionalMultiphaseFluidUpdates final : public MultiFluidBase::KernelW typename PHASE1::KernelWrapper m_phase1; typename PHASE2::KernelWrapper m_phase2; typename PHASE3::KernelWrapper m_phase3; + + // Backup variables + MultiFluidBase::PhaseComp::ViewValueType m_kValues; }; template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 > @@ -105,7 +146,8 @@ CompositionalMultiphaseFluidUpdates( compositional::ComponentProperties const & MultiFluidBase::PhaseProp::ViewType phaseEnthalpy, MultiFluidBase::PhaseProp::ViewType phaseInternalEnergy, MultiFluidBase::PhaseComp::ViewType phaseCompFrac, - MultiFluidBase::FluidProp::ViewType totalDensity ): + MultiFluidBase::FluidProp::ViewType totalDensity, + MultiFluidBase::PhaseComp::ViewValueType kValues ): MultiFluidBase::KernelWrapper( componentMolarWeight, useMass, std::move( phaseFrac ), @@ -120,7 +162,8 @@ CompositionalMultiphaseFluidUpdates( compositional::ComponentProperties const & m_flash( flash.createKernelWrapper() ), m_phase1( phase1.createKernelWrapper() ), m_phase2( phase2.createKernelWrapper() ), - m_phase3( phase3.createKernelWrapper() ) + m_phase3( phase3.createKernelWrapper() ), + m_kValues( kValues ) {} template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 > @@ -140,14 +183,50 @@ CompositionalMultiphaseFluidUpdates< FLASH, PHASE1, PHASE2, PHASE3 >::compute( MultiFluidBase::PhaseComp::SliceType const phaseCompFrac, MultiFluidBase::FluidProp::SliceType const totalDensity ) const { - GEOS_UNUSED_VAR( phaseEnthalpy, phaseInternalEnergy ); + integer constexpr maxNumComp = MultiFluidBase::MAX_NUM_COMPONENTS; + integer constexpr maxNumPhase = MultiFluidBase::MAX_NUM_PHASES - 1; + MultiFluidBase::PhaseComp::StackValueType< maxNumPhase *maxNumComp > kValues( 1, 1, numPhases() - 1, numComponents() ); - using Deriv = multifluid::DerivativeOffset; + LvArray::forValuesInSlice( kValues[0][0], setZero ); // Force initialisation of k-Values + + compute( pressure, + temperature, + composition, + phaseFrac, + phaseDens, + phaseMassDensity, + phaseVisc, + phaseEnthalpy, + phaseInternalEnergy, + phaseCompFrac, + totalDensity, + kValues[0][0] ); +} +template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 > +GEOS_HOST_DEVICE +GEOS_FORCE_INLINE +void +CompositionalMultiphaseFluidUpdates< FLASH, PHASE1, PHASE2, PHASE3 >::compute( + real64 const pressure, + real64 const temperature, + arraySlice1d< real64 const, compflow::USD_COMP - 1 > const & composition, + MultiFluidBase::PhaseProp::SliceType const phaseFrac, + MultiFluidBase::PhaseProp::SliceType const phaseDens, + MultiFluidBase::PhaseProp::SliceType const phaseMassDensity, + MultiFluidBase::PhaseProp::SliceType const phaseVisc, + MultiFluidBase::PhaseProp::SliceType const phaseEnthalpy, + MultiFluidBase::PhaseProp::SliceType const phaseInternalEnergy, + MultiFluidBase::PhaseComp::SliceType const phaseCompFrac, + MultiFluidBase::FluidProp::SliceType const totalDensity, + MultiFluidBase::PhaseComp::SliceType::ValueType const & kValues ) const +{ integer constexpr maxNumComp = MultiFluidBase::MAX_NUM_COMPONENTS; + integer constexpr maxNumDof = MultiFluidBase::MAX_NUM_COMPONENTS + 2; integer constexpr maxNumPhase = MultiFluidBase::MAX_NUM_PHASES; integer const numComp = numComponents(); integer const numPhase = numPhases(); + integer const numDof = numComp + 2; // 1. Convert input mass fractions to mole fractions and keep derivatives @@ -174,6 +253,7 @@ CompositionalMultiphaseFluidUpdates< FLASH, PHASE1, PHASE2, PHASE3 >::compute( pressure, temperature, compMoleFrac.toSliceConst(), + kValues, phaseFrac, phaseCompFrac ); @@ -182,7 +262,6 @@ CompositionalMultiphaseFluidUpdates< FLASH, PHASE1, PHASE2, PHASE3 >::compute( pressure, temperature, phaseCompFrac.value[0].toSliceConst(), - phaseCompFrac.derivs[0].toSliceConst(), phaseDens.value[0], phaseDens.derivs[0], phaseMassDensity.value[0], @@ -192,7 +271,6 @@ CompositionalMultiphaseFluidUpdates< FLASH, PHASE1, PHASE2, PHASE3 >::compute( pressure, temperature, phaseCompFrac.value[1].toSliceConst(), - phaseCompFrac.derivs[1].toSliceConst(), phaseDens.value[1], phaseDens.derivs[1], phaseMassDensity.value[1], @@ -204,7 +282,6 @@ CompositionalMultiphaseFluidUpdates< FLASH, PHASE1, PHASE2, PHASE3 >::compute( pressure, temperature, phaseCompFrac.value[2].toSliceConst(), - phaseCompFrac.derivs[2].toSliceConst(), phaseDens.value[2], phaseDens.derivs[2], phaseMassDensity.value[2], @@ -217,7 +294,6 @@ CompositionalMultiphaseFluidUpdates< FLASH, PHASE1, PHASE2, PHASE3 >::compute( pressure, temperature, phaseCompFrac.value[0].toSliceConst(), - phaseCompFrac.derivs[0].toSliceConst(), phaseMassDensity.value[0], phaseMassDensity.derivs[0].toSliceConst(), phaseVisc.value[0], @@ -227,7 +303,6 @@ CompositionalMultiphaseFluidUpdates< FLASH, PHASE1, PHASE2, PHASE3 >::compute( pressure, temperature, phaseCompFrac.value[1].toSliceConst(), - phaseCompFrac.derivs[1].toSliceConst(), phaseMassDensity.value[1], phaseMassDensity.derivs[1].toSliceConst(), phaseVisc.value[1], @@ -239,7 +314,6 @@ CompositionalMultiphaseFluidUpdates< FLASH, PHASE1, PHASE2, PHASE3 >::compute( pressure, temperature, phaseCompFrac.value[2].toSliceConst(), - phaseCompFrac.derivs[2].toSliceConst(), phaseMassDensity.value[2], phaseMassDensity.derivs[2].toSliceConst(), phaseVisc.value[2], @@ -247,23 +321,52 @@ CompositionalMultiphaseFluidUpdates< FLASH, PHASE1, PHASE2, PHASE3 >::compute( m_useMass ); } - // 5. if mass variables used instead of molar, perform the conversion + // 5. Convert derivatives from phase composition to total composition + stackArray1d< real64, maxNumDof > workSpace( numDof ); + for( integer ip = 0; ip < FLASH::KernelWrapper::getNumberOfPhases(); ++ip ) + { + convertDerivativesToTotalMoleFraction( numComp, + phaseCompFrac.derivs[ip].toSliceConst(), + phaseDens.derivs[ip], + workSpace ); + convertDerivativesToTotalMoleFraction( numComp, + phaseCompFrac.derivs[ip].toSliceConst(), + phaseMassDensity.derivs[ip], + workSpace ); + convertDerivativesToTotalMoleFraction( numComp, + phaseCompFrac.derivs[ip].toSliceConst(), + phaseVisc.derivs[ip], + workSpace ); + } + + // 6. if mass variables used instead of molar, perform the conversion if( m_useMass ) { real64 phaseMolecularWeight[maxNumPhase]{}; real64 dPhaseMolecularWeight[maxNumPhase][maxNumComp+2]{}; + arrayView1d< real64 const > const & componentMolarWeight = m_componentProperties.m_componentMolarWeight; + for( integer ip = 0; ip < numPhase; ++ip ) { - phaseMolecularWeight[ip] = 1.0; - dPhaseMolecularWeight[ip][Deriv::dP] = 0.0; - dPhaseMolecularWeight[ip][Deriv::dT] = 0.0; + phaseMolecularWeight[ip] = 0.0; + for( integer kc = 0; kc < numDof; ++kc ) + { + dPhaseMolecularWeight[ip][kc] = 0.0; + } + + auto const & phaseComposition = phaseCompFrac.value[ip].toSliceConst(); + auto const & dPhaseComposition = phaseCompFrac.derivs[ip].toSliceConst(); + for( integer ic = 0; ic < numComp; ++ic ) { - dPhaseMolecularWeight[ip][Deriv::dC+ic] = 0.0; + phaseMolecularWeight[ip] += phaseComposition[ic] * componentMolarWeight[ic]; + for( integer kc = 0; kc < numDof; ++kc ) + { + dPhaseMolecularWeight[ip][kc] += dPhaseComposition( ic, kc ) * componentMolarWeight[ic]; + } } } - convertToMassFractions( dCompMoleFrac_dCompMassFrac, phaseMolecularWeight, dPhaseMolecularWeight, @@ -275,7 +378,7 @@ CompositionalMultiphaseFluidUpdates< FLASH, PHASE1, PHASE2, PHASE3 >::compute( phaseInternalEnergy.derivs ); } - // 6. Compute total fluid mass/molar density and derivatives + // 7. Compute total fluid mass/molar density and derivatives computeTotalDensity( phaseFrac, phaseDens, @@ -303,7 +406,37 @@ update( localIndex const k, m_phaseEnthalpy( k, q ), m_phaseInternalEnergy( k, q ), m_phaseCompFraction( k, q ), - m_totalDensity( k, q ) ); + m_totalDensity( k, q ), + m_kValues[k][q] ); +} + +template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 > +template< int USD1, int USD2 > +GEOS_HOST_DEVICE +void +CompositionalMultiphaseFluidUpdates< FLASH, PHASE1, PHASE2, PHASE3 >:: +convertDerivativesToTotalMoleFraction( integer const numComps, + arraySlice2d< real64 const, USD1 > const & dPhaseComposition, + arraySlice1d< real64, USD2 > const & dProperty, + arraySlice1d< real64 > const & workSpace ) +{ + using Deriv = multifluid::DerivativeOffset; + integer const numDofs = numComps + 2; + for( integer kc = 0; kc < numDofs; ++kc ) + { + workSpace[kc] = dProperty[kc]; + } + for( integer ic = 0; ic < numComps; ++ic ) + { + dProperty[Deriv::dC+ic] = 0.0; + } + for( integer kc = 0; kc < numDofs; ++kc ) + { + for( integer ic = 0; ic < numComps; ++ic ) + { + dProperty[kc] += (dPhaseComposition( ic, kc ) * workSpace[Deriv::dC+ic]); + } + } } } /* namespace constitutive */ diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalMultiphaseFluid.cpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalMultiphaseFluid.cpp index d1c69c43ca1..5f48a008cfc 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalMultiphaseFluid.cpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalMultiphaseFluid.cpp @@ -17,18 +17,9 @@ */ #include "constitutive/fluid/multifluid/PVTDriverRunTest.hpp" -#ifdef GEOSX_USE_PVTPackage #include "constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidPVTPackage.hpp" -#endif -#include "constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.hpp" namespace geos { -#ifdef GEOSX_USE_PVTPackage template void PVTDriver::runTest< constitutive::CompositionalMultiphaseFluidPVTPackage >( constitutive::CompositionalMultiphaseFluidPVTPackage &, arrayView2d< real64 > const & ); -#endif -template void PVTDriver::runTest< constitutive::CompositionalTwoPhasePengRobinsonConstantViscosity >( - constitutive::CompositionalTwoPhasePengRobinsonConstantViscosity &, arrayView2d< real64 > const & ); -template void PVTDriver::runTest< constitutive::CompositionalTwoPhaseSoaveRedlichKwongConstantViscosity >( - constitutive::CompositionalTwoPhaseSoaveRedlichKwongConstantViscosity &, arrayView2d< real64 > const & ); } diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalPR.cpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalPR.cpp new file mode 100644 index 00000000000..eec79c6c150 --- /dev/null +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalPR.cpp @@ -0,0 +1,26 @@ +/* + * ------------------------------------------------------------------------------------------------------------ + * SPDX-License-Identifier: LGPL-2.1-only + * + * Copyright (c) 2018-2020 Lawrence Livermore National Security LLC + * Copyright (c) 2018-2020 The Board of Trustees of the Leland Stanford Junior University + * Copyright (c) 2018-2020 TotalEnergies + * Copyright (c) 2019- GEOSX Contributors + * All rights reserved + * + * See top level LICENSE, COPYRIGHT, CONTRIBUTORS, NOTICE, and ACKNOWLEDGEMENTS files for details. + * ------------------------------------------------------------------------------------------------------------ + */ + +/* + * PVTDriverRunTestCompositionalPR.cpp + */ + +#include "constitutive/fluid/multifluid/PVTDriverRunTest.hpp" +#include "constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.hpp" + +namespace geos +{ +template void PVTDriver::runTest< constitutive::CompositionalTwoPhasePengRobinsonConstantViscosity >( + constitutive::CompositionalTwoPhasePengRobinsonConstantViscosity &, arrayView2d< real64 > const & ); +} diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalPRLBC.cpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalPRLBC.cpp new file mode 100644 index 00000000000..449d4459c57 --- /dev/null +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalPRLBC.cpp @@ -0,0 +1,26 @@ +/* + * ------------------------------------------------------------------------------------------------------------ + * SPDX-License-Identifier: LGPL-2.1-only + * + * Copyright (c) 2018-2020 Lawrence Livermore National Security LLC + * Copyright (c) 2018-2020 The Board of Trustees of the Leland Stanford Junior University + * Copyright (c) 2018-2020 TotalEnergies + * Copyright (c) 2019- GEOSX Contributors + * All rights reserved + * + * See top level LICENSE, COPYRIGHT, CONTRIBUTORS, NOTICE, and ACKNOWLEDGEMENTS files for details. + * ------------------------------------------------------------------------------------------------------------ + */ + +/* + * PVTDriverRunTestCompositionalPRLBC.cpp + */ + +#include "constitutive/fluid/multifluid/PVTDriverRunTest.hpp" +#include "constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.hpp" + +namespace geos +{ +template void PVTDriver::runTest< constitutive::CompositionalTwoPhasePengRobinsonLBCViscosity >( + constitutive::CompositionalTwoPhasePengRobinsonLBCViscosity &, arrayView2d< real64 > const & ); +} diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalSRK.cpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalSRK.cpp new file mode 100644 index 00000000000..edcfd2af4f5 --- /dev/null +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalSRK.cpp @@ -0,0 +1,26 @@ +/* + * ------------------------------------------------------------------------------------------------------------ + * SPDX-License-Identifier: LGPL-2.1-only + * + * Copyright (c) 2018-2020 Lawrence Livermore National Security LLC + * Copyright (c) 2018-2020 The Board of Trustees of the Leland Stanford Junior University + * Copyright (c) 2018-2020 TotalEnergies + * Copyright (c) 2019- GEOSX Contributors + * All rights reserved + * + * See top level LICENSE, COPYRIGHT, CONTRIBUTORS, NOTICE, and ACKNOWLEDGEMENTS files for details. + * ------------------------------------------------------------------------------------------------------------ + */ + +/* + * PVTDriverRunTestCompositionalSRK.cpp + */ + +#include "constitutive/fluid/multifluid/PVTDriverRunTest.hpp" +#include "constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.hpp" + +namespace geos +{ +template void PVTDriver::runTest< constitutive::CompositionalTwoPhaseSoaveRedlichKwongConstantViscosity >( + constitutive::CompositionalTwoPhaseSoaveRedlichKwongConstantViscosity &, arrayView2d< real64 > const & ); +} diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalSRKLBC.cpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalSRKLBC.cpp new file mode 100644 index 00000000000..1ab0ab8b15f --- /dev/null +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/PVTDriverRunTestCompositionalSRKLBC.cpp @@ -0,0 +1,26 @@ +/* + * ------------------------------------------------------------------------------------------------------------ + * SPDX-License-Identifier: LGPL-2.1-only + * + * Copyright (c) 2018-2020 Lawrence Livermore National Security LLC + * Copyright (c) 2018-2020 The Board of Trustees of the Leland Stanford Junior University + * Copyright (c) 2018-2020 TotalEnergies + * Copyright (c) 2019- GEOSX Contributors + * All rights reserved + * + * See top level LICENSE, COPYRIGHT, CONTRIBUTORS, NOTICE, and ACKNOWLEDGEMENTS files for details. + * ------------------------------------------------------------------------------------------------------------ + */ + +/* + * PVTDriverRunTestCompositionalSRKLBC.cpp + */ + +#include "constitutive/fluid/multifluid/PVTDriverRunTest.hpp" +#include "constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluid.hpp" + +namespace geos +{ +template void PVTDriver::runTest< constitutive::CompositionalTwoPhaseSoaveRedlichKwongLBCViscosity >( + constitutive::CompositionalTwoPhaseSoaveRedlichKwongLBCViscosity &, arrayView2d< real64 > const & ); +} diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CompositionalProperties.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CompositionalProperties.hpp index 84f886df626..3f2d3d45c88 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CompositionalProperties.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CompositionalProperties.hpp @@ -20,6 +20,7 @@ #define GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_COMPOSITIONAL_FUNCTIONS_COMPOSITIONALPROPERTIES_HPP_ #include "common/DataTypes.hpp" +#include "constitutive/fluid/multifluid/Layouts.hpp" namespace geos { @@ -32,97 +33,51 @@ namespace compositional struct CompositionalProperties { + using Deriv = geos::constitutive::multifluid::DerivativeOffset; public: /** - * @brief Compute the molar density of a mixture from the composition and the compressibility factor + * @brief Compute the molar density and derivatives * @param[in] numComps number of components * @param[in] pressure pressure * @param[in] temperature temperature * @param[in] composition composition of the mixture * @param[in] volumeShift dimensional volume shift parameters * @param[in] compressibilityFactor compressibility factor (z-factor) + * @param[in] compressibilityFactorDerivs derivatives of the compressibility factor (z-factor) * @param[out] molarDensity the calculated molar density - * @note The volume shifts can result in a negative molar density which will be truncated to zero + * @param[out] molarDensityDerivs derivatives of the molar density */ + template< integer USD1, integer USD2 > GEOS_HOST_DEVICE static void computeMolarDensity( integer const numComps, real64 const pressure, real64 const temperature, - arraySlice1d< real64 const > const & composition, + arraySlice1d< real64 const, USD1 > const & composition, arraySlice1d< real64 const > const & volumeShift, real64 const compressibilityFactor, - real64 & molarDensity ); + arraySlice1d< real64 const > const & compressibilityFactorDerivs, + real64 & molarDensity, + arraySlice1d< real64, USD2 > const & molarDensityDerivs ); /** - * @brief Compute the molar density derivatives - * @param[in] numComps number of components - * @param[in] pressure pressure - * @param[in] temperature temperature - * @param[in] composition composition of the mixture - * @param[in] volumeShift dimensional volume shift parameters - * @param[in] compressibilityFactor compressibility factor (z-factor) - * @param[in] dCompressibilityFactor_dp derivative of the compressibility factor (z-factor) wrt pressure - * @param[in] dCompressibilityFactor_dp derivative of the compressibility factor (z-factor) wrt temperature - * @param[in] dCompressibilityFactor_dz derivative of the compressibility factor (z-factor) wrt composition - * @param[in] molarDensity the calculated molar density - * @param[out] dMolarDensity_dp derivative of the molar density wrt pressure - * @param[out] dMolarDensity_dt derivative of the molar density wrt temperature - * @param[out] dMolarDensity_dz derivative of the molar density wrt composition - */ - GEOS_HOST_DEVICE - static void computeMolarDensity( integer const numComps, - real64 const pressure, - real64 const temperature, - arraySlice1d< real64 const > const & composition, - arraySlice1d< real64 const > const & volumeShift, - real64 const compressibilityFactor, - real64 const dCompressibilityFactor_dp, - real64 const dCompressibilityFactor_dt, - arraySlice1d< real64 const > const & dCompressibilityFactor_dz, - real64 const molarDensity, - real64 & dMolarDensity_dp, - real64 & dMolarDensity_dt, - arraySlice1d< real64 > const & dMolarDensity_dz ); - - /** - * @brief Compute the mass density of a mixture from the composition and the molar density + * @brief Compute the mass density and derivatives * @param[in] numComps number of components * @param[in] composition composition of the mixture * @param[in] molecularWeight the component molecular weights * @param[in] molarDensity the mixture molar density - * @param[out] massDensity the calculated mass density + * @param[in] molarDensityDerivs derivatives of the molar density + * @param[out] massDensity mass density + * @param[out] massDensityDerivs derivatives of the mass density */ + template< integer USD1, integer USD2 > GEOS_HOST_DEVICE static void computeMassDensity( integer const numComps, - arraySlice1d< real64 const > const & composition, + arraySlice1d< real64 const, USD1 > const & composition, arraySlice1d< real64 const > const & molecularWeight, real64 const molarDensity, - real64 & massDensity ); - - /** - * @brief Compute the mass density derivatives - * @param[in] numComps number of components - * @param[in] molecularWeight the component molecular weights - * @param[in] molarDensity the mixture molar density - * @param[in] dMolarDensity_dp derivative of the molar density wrt pressure - * @param[in] dMolarDensity_dt derivative of the molar density wrt temperature - * @param[in] dMolarDensity_dz derivative of the molar density wrt composition - * @param[in] massDensity mass density - * @param[out] dMassDensity_dp derivative of the mass density wrt pressure - * @param[out] dMassDensity_dt derivative of the mass density wrt temperature - * @param[out] dMassDensity_dz derivative of the mass density wrt composition - */ - GEOS_HOST_DEVICE - static void computeMassDensity( integer const numComps, - arraySlice1d< real64 const > const & molecularWeight, - real64 const molarDensity, - real64 const dMolarDensity_dp, - real64 const dMolarDensity_dt, - arraySlice1d< real64 const > const dMolarDensity_dz, - real64 const massDensity, - real64 & dMassDensity_dp, - real64 & dMassDensity_dt, - arraySlice1d< real64 > const & dMassDensity_dz ); + arraySlice1d< real64 const, USD2 > const & molarDensityDerivs, + real64 & massDensity, + arraySlice1d< real64, USD2 > const & massDensityDerivs ); }; } //namespace compositional @@ -131,4 +86,7 @@ struct CompositionalProperties } // namespace geos +// Implementation +#include "CompositionalPropertiesImpl.hpp" + #endif //GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_COMPOSITIONAL_FUNCTIONS_COMPOSITIONALPROPERTIES_HPP_ diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CompositionalProperties.cpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CompositionalPropertiesImpl.hpp similarity index 50% rename from src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CompositionalProperties.cpp rename to src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CompositionalPropertiesImpl.hpp index 165801fa177..f602cd70308 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CompositionalProperties.cpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CompositionalPropertiesImpl.hpp @@ -13,9 +13,12 @@ */ /** - * @file CompositionalProperties.hpp + * @file CompositionalPropertiesImpl.hpp */ +#ifndef GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_COMPOSITIONAL_FUNCTIONS_COMPOSITIONALPROPERTIESIMPL_HPP_ +#define GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_COMPOSITIONAL_FUNCTIONS_COMPOSITIONALPROPERTIESIMPL_HPP_ + #include "CompositionalProperties.hpp" #include "constitutive/fluid/multifluid/MultiFluidConstants.hpp" @@ -34,22 +37,24 @@ namespace compositional * Peneloux, A et al. 1982. Fluid phase equilibria, 8(1):7–23. * https://doi.org/10.1016/0378-3812(82)80002-2 */ +template< integer USD1, integer USD2 > GEOS_HOST_DEVICE void CompositionalProperties::computeMolarDensity( integer const numComps, real64 const pressure, real64 const temperature, - arraySlice1d< real64 const > const & composition, + arraySlice1d< real64 const, USD1 > const & composition, arraySlice1d< real64 const > const & volumeShift, real64 const compressibilityFactor, - real64 & molarDensity ) + arraySlice1d< real64 const > const & compressibilityFactorDerivs, + real64 & molarDensity, + arraySlice1d< real64, USD2 > const & molarDensityDerivs ) { - real64 vEos = constants::gasConstant * temperature * compressibilityFactor / pressure; real64 vCorrected = vEos; for( integer ic = 0; ic < numComps; ++ic ) { - vCorrected += composition[ic] * volumeShift[ic]; + vCorrected -= composition[ic] * volumeShift[ic]; } if( MultiFluidConstants::epsilon < vCorrected ) @@ -59,89 +64,66 @@ void CompositionalProperties::computeMolarDensity( integer const numComps, else { molarDensity = 0.0; - } -} - -GEOS_HOST_DEVICE -void CompositionalProperties::computeMolarDensity( integer const numComps, - real64 const pressure, - real64 const temperature, - arraySlice1d< real64 const > const & GEOS_UNUSED_PARAM ( composition ), - arraySlice1d< real64 const > const & volumeShift, - real64 const compressibilityFactor, - real64 const dCompressibilityFactor_dp, - real64 const dCompressibilityFactor_dt, - arraySlice1d< real64 const > const & dCompressibilityFactor_dz, - real64 const molarDensity, - real64 & dMolarDensity_dp, - real64 & dMolarDensity_dt, - arraySlice1d< real64 > const & dMolarDensity_dz ) -{ - if( molarDensity < MultiFluidConstants::epsilon ) - { - dMolarDensity_dp = 0.0; - dMolarDensity_dt = 0.0; - for( integer ic = 0; ic < numComps; ++ic ) - { - dMolarDensity_dz[ic] = 0.0; - } + auto const setZero = []( real64 & val ){ val = 0.0; }; + LvArray::forValuesInSlice( molarDensityDerivs, setZero ); return; } real64 dvCorrected_dx = 0.0; // Pressure derivative - dvCorrected_dx = constants::gasConstant * temperature * (dCompressibilityFactor_dp - compressibilityFactor / pressure) / pressure; - dMolarDensity_dp = -molarDensity * molarDensity * dvCorrected_dx; + dvCorrected_dx = constants::gasConstant * temperature * (compressibilityFactorDerivs[Deriv::dP] - compressibilityFactor / pressure) / pressure; + molarDensityDerivs[Deriv::dP] = -molarDensity * molarDensity * dvCorrected_dx; // Temperature derivative - dvCorrected_dx = constants::gasConstant * (temperature * dCompressibilityFactor_dt + compressibilityFactor) / pressure; - dMolarDensity_dt = -molarDensity * molarDensity * dvCorrected_dx; + dvCorrected_dx = constants::gasConstant * (temperature * compressibilityFactorDerivs[Deriv::dT] + compressibilityFactor) / pressure; + molarDensityDerivs[Deriv::dT] = -molarDensity * molarDensity * dvCorrected_dx; // Composition derivative for( integer ic = 0; ic < numComps; ++ic ) { - dvCorrected_dx = constants::gasConstant * temperature * dCompressibilityFactor_dz[ic] / pressure + volumeShift[ic]; - dMolarDensity_dz[ic] = -molarDensity * molarDensity * dvCorrected_dx; + integer const kc = Deriv::dC + ic; + dvCorrected_dx = constants::gasConstant * temperature * compressibilityFactorDerivs[kc] / pressure - volumeShift[ic]; + molarDensityDerivs[kc] = -molarDensity * molarDensity * dvCorrected_dx; } } +template< integer USD1, integer USD2 > GEOS_HOST_DEVICE void CompositionalProperties::computeMassDensity( integer const numComps, - arraySlice1d< real64 const > const & composition, + arraySlice1d< real64 const, USD1 > const & composition, arraySlice1d< real64 const > const & molecularWeight, real64 const molarDensity, - real64 & massDensity ) + arraySlice1d< real64 const, USD2 > const & molarDensityDerivs, + real64 & massDensity, + arraySlice1d< real64, USD2 > const & massDensityDerivs ) { massDensity = 0.0; for( integer ic = 0; ic < numComps; ++ic ) { massDensity += molecularWeight[ic] * composition[ic] * molarDensity; } -} -GEOS_HOST_DEVICE -void CompositionalProperties::computeMassDensity( integer const numComps, - arraySlice1d< real64 const > const & molecularWeight, - real64 const molarDensity, - real64 const dMolarDensity_dp, - real64 const dMolarDensity_dt, - arraySlice1d< real64 const > const dMolarDensity_dz, - real64 const massDensity, - real64 & dMassDensity_dp, - real64 & dMassDensity_dt, - arraySlice1d< real64 > const & dMassDensity_dz ) -{ - // Pressure derivative - dMassDensity_dp = massDensity * dMolarDensity_dp / molarDensity; + if( massDensity < MultiFluidConstants::epsilon ) + { + auto const setZero = []( real64 & val ){ val = 0.0; }; + LvArray::forValuesInSlice( massDensityDerivs, setZero ); + return; + } - // Temperature derivative - dMassDensity_dt = massDensity * dMolarDensity_dt / molarDensity; + real64 const oneOverMolarDensity = 1.0 / molarDensity; + + // Pressure and temperature derivatives + for( integer const kc : {Deriv::dP, Deriv::dT} ) + { + massDensityDerivs[kc] = massDensity * molarDensityDerivs[kc] * oneOverMolarDensity; + } // Composition derivative for( integer ic = 0; ic < numComps; ++ic ) { - dMassDensity_dz[ic] = massDensity * dMolarDensity_dz[ic] / molarDensity + molecularWeight[ic] * molarDensity; + integer const kc = Deriv::dC + ic; + massDensityDerivs[kc] = massDensity * molarDensityDerivs[kc] * oneOverMolarDensity + molecularWeight[ic] * molarDensity; } } @@ -150,3 +132,5 @@ void CompositionalProperties::computeMassDensity( integer const numComps, } // namespace constitutive } // namespace geos + +#endif //GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_COMPOSITIONAL_FUNCTIONS_COMPOSITIONALPROPERTIESIMPL_HPP_ diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CubicEOSPhaseModel.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CubicEOSPhaseModel.hpp index 8adfa65457e..d1a53eeb39e 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CubicEOSPhaseModel.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CubicEOSPhaseModel.hpp @@ -21,6 +21,7 @@ #include "common/DataTypes.hpp" #include "constitutive/fluid/multifluid/MultiFluidConstants.hpp" +#include "constitutive/fluid/multifluid/Layouts.hpp" #include "constitutive/fluid/multifluid/compositional/models/ComponentProperties.hpp" namespace geos @@ -73,6 +74,7 @@ struct SoaveRedlichKwongEOS template< typename EOS_TYPE > struct CubicEOSPhaseModel { + using Deriv = geos::constitutive::multifluid::DerivativeOffset; public: /** * @brief Generate a catalog name @@ -89,15 +91,121 @@ struct CubicEOSPhaseModel * @param[in] componentProperties The compositional component properties * @param[out] logFugacityCoefficients log of the fugacity coefficients */ + template< integer USD > GEOS_HOST_DEVICE GEOS_FORCE_INLINE static void computeLogFugacityCoefficients( integer const numComps, real64 const & pressure, real64 const & temperature, - arrayView1d< real64 const > const composition, + arraySlice1d< real64 const, USD > const & composition, ComponentProperties::KernelWrapper const & componentProperties, - arraySlice1d< real64 > const logFugacityCoefficients ); + arraySlice1d< real64 > const & logFugacityCoefficients ); + + /** + * @brief Secondary entry point of the cubic EOS model + * @details Computes the derivatives of the logarithm of the fugacity coefficients + * @param[in] numComps number of components + * @param[in] pressure pressure + * @param[in] temperature temperature + * @param[in] composition composition of the phase + * @param[in] componentProperties The compositional component properties + * @param[in] logFugacityCoefficients log of the fugacity coefficients + * @param[out] logFugacityCoefficientDerivs derivatives of the log of the fugacity coefficients + */ + template< integer USD > + GEOS_HOST_DEVICE + GEOS_FORCE_INLINE + static void + computeLogFugacityCoefficients( integer const numComps, + real64 const & pressure, + real64 const & temperature, + arraySlice1d< real64 const, USD > const & composition, + ComponentProperties::KernelWrapper const & componentProperties, + arraySlice1d< real64 const > const & logFugacityCoefficients, + arraySlice2d< real64 > const & logFugacityCoefficientDerivs ); + + /** + * @brief Compute compressibility factor for the cubic EOS model + * @details Computes the compressibility factor (z-factor) for the cubic EOS model including derivatives + * @param[in] numComps number of components + * @param[in] pressure pressure + * @param[in] temperature temperature + * @param[in] composition composition of the phase + * @param[in] componentProperties The compositional component properties + * @param[out] compressibilityFactor the current compressibility factor + * @param[out] compressibilityFactorDerivs derivatives of the compressibility factor + */ + template< integer USD > + GEOS_HOST_DEVICE + GEOS_FORCE_INLINE + static void + computeCompressibilityFactor( integer const numComps, + real64 const & pressure, + real64 const & temperature, + arraySlice1d< real64 const, USD > const & composition, + ComponentProperties::KernelWrapper const & componentProperties, + real64 & compressibilityFactor, + arraySlice1d< real64 > const & compressibilityFactorDerivs ); + + /** + * @brief Calculate the dimensional volume shift + * @details Computes the dimensional form of the volume shifts given the user defined non-dimensional form. + * @param[in] numComps The number of components + * @param[in] componentProperties The compositional model properties + * @param[out] dimensionalVolumeShift The calculated dimensional volume shifts + */ + GEOS_FORCE_INLINE + static void calculateDimensionalVolumeShift( ComponentProperties const & componentProperties, + arraySlice1d< real64 > const & dimensionalVolumeShift ); + + /** + * @brief Calculate the pure coefficients + * @details Computes the pure coefficients + * @param[in] ic Component index + * @param[in] pressure pressure + * @param[in] temperature temperature + * @param[in] componentProperties The compositional component properties + * @param[out] aCoefficient pure coefficient (A) + * @param[out] bCoefficient pure coefficient (B) + */ + GEOS_HOST_DEVICE + GEOS_FORCE_INLINE + static void + computePureCoefficients( integer const ic, + real64 const & pressure, + real64 const & temperature, + ComponentProperties::KernelWrapper const & componentProperties, + real64 & aCoefficient, + real64 & bCoefficient ); + + /** + * @brief Calculate the pure coefficients derivatives + * @details Computes the pure coefficients derivatives + * @param[in] ic Component index + * @param[in] pressure pressure + * @param[in] temperature temperature + * @param[in] componentProperties The compositional component properties + * @param[out] aCoefficient pure coefficient (A) + * @param[out] bCoefficient pure coefficient (B) + * @param[out] daCoefficient_dp pure coefficient (A) derivative w.r.t. pressure + * @param[out] dbCoefficient_dp pure coefficient (B) derivative w.r.t. pressure + * @param[out] daCoefficient_dt pure coefficient (A) derivative w.r.t. temperature + * @param[out] dbCoefficient_dt pure coefficient (B) derivative w.r.t. temperature + */ + GEOS_HOST_DEVICE + GEOS_FORCE_INLINE + static void + computePureCoefficients( integer const ic, + real64 const & pressure, + real64 const & temperature, + ComponentProperties::KernelWrapper const & componentProperties, + real64 & aCoefficient, + real64 & bCoefficient, + real64 & daCoefficient_dp, + real64 & dbCoefficient_dp, + real64 & daCoefficient_dt, + real64 & dbCoefficient_dt ); /** * @brief Compute the mixture coefficients using pressure, temperature, composition and input @@ -111,16 +219,17 @@ struct CubicEOSPhaseModel * @param[out] aMixtureCoefficient mixture coefficient (A) * @param[out] bMixtureCoefficient mixture coefficient (B) */ + template< integer USD > GEOS_HOST_DEVICE GEOS_FORCE_INLINE static void computeMixtureCoefficients( integer const numComps, real64 const & pressure, real64 const & temperature, - arrayView1d< real64 const > const composition, + arraySlice1d< real64 const, USD > const & composition, ComponentProperties::KernelWrapper const & componentProperties, - arraySlice1d< real64 > const aPureCoefficient, - arraySlice1d< real64 > const bPureCoefficient, + arraySlice1d< real64 > const & aPureCoefficient, + arraySlice1d< real64 > const & bPureCoefficient, real64 & aMixtureCoefficient, real64 & bMixtureCoefficient ); @@ -135,32 +244,25 @@ struct CubicEOSPhaseModel * @param[in] bPureCoefficient pure coefficient (B) * @param[in] aMixtureCoefficient mixture coefficient (A) * @param[in] bMixtureCoefficient mixture coefficient (B) - * @param[out] daMixtureCoefficient_dp derivative of mixture coefficient (A) wrt pressure - * @param[out] dbMixtureCoefficient_dp derivative of mixture coefficient (B) wrt pressure - * @param[out] daMixtureCoefficient_dt derivative of mixture coefficient (A) wrt temperature - * @param[out] dbMixtureCoefficient_dt derivative of mixture coefficient (B) wrt temperature - * @param[out] daMixtureCoefficient_dz derivative of mixture coefficient (A) wrt composition - * @param[out] dbMixtureCoefficient_dz derivative of mixture coefficient (B) wrt composition + * @param[out] aMixtureCoefficientDerivs derivatives of mixture coefficient (A) + * @param[out] bMixtureCoefficientDerivs derivatives of mixture coefficient (B) * @note Assumes that pressure and temperature are strictly positive */ + template< integer USD > GEOS_HOST_DEVICE GEOS_FORCE_INLINE static void computeMixtureCoefficients( integer const numComps, real64 const & pressure, real64 const & temperature, - arrayView1d< real64 const > const composition, + arraySlice1d< real64 const, USD > const & composition, ComponentProperties::KernelWrapper const & componentProperties, - arraySlice1d< real64 const > const aPureCoefficient, - arraySlice1d< real64 const > const bPureCoefficient, + arraySlice1d< real64 const > const & aPureCoefficient, + arraySlice1d< real64 const > const & bPureCoefficient, real64 const aMixtureCoefficient, real64 const bMixtureCoefficient, - real64 & daMixtureCoefficient_dp, - real64 & dbMixtureCoefficient_dp, - real64 & daMixtureCoefficient_dt, - real64 & dbMixtureCoefficient_dt, - arraySlice1d< real64 > const daMixtureCoefficient_dz, - arraySlice1d< real64 > const dbMixtureCoefficient_dz ); + arraySlice1d< real64 > const & aMixtureCoefficientDerivs, + arraySlice1d< real64 > const & bMixtureCoefficientDerivs ); /** * @brief Compute the compressibility factor using compositions, BICs, and mixture coefficients @@ -173,14 +275,15 @@ struct CubicEOSPhaseModel * @param[in] bMixtureCoefficient mixture coefficient (B) * @param[out] compressibilityFactor compressibility factor */ + template< integer USD > GEOS_HOST_DEVICE GEOS_FORCE_INLINE static void computeCompressibilityFactor( integer const numComps, - arrayView1d< real64 const > const composition, - arrayView2d< real64 const > const & binaryInteractionCoefficients, - arraySlice1d< real64 const > const aPureCoefficient, - arraySlice1d< real64 const > const bPureCoefficient, + arraySlice1d< real64 const, USD > const & composition, + arraySlice2d< real64 const > const & binaryInteractionCoefficients, + arraySlice1d< real64 const > const & aPureCoefficient, + arraySlice1d< real64 const > const & bPureCoefficient, real64 const & aMixtureCoefficient, real64 const & bMixtureCoefficient, real64 & compressibilityFactor ); @@ -191,15 +294,9 @@ struct CubicEOSPhaseModel * @param[in] aMixtureCoefficient mixture coefficient (A) * @param[in] bMixtureCoefficient mixture coefficient (B) * @param[in] compressibilityFactor the current compressibility factor - * @param[in] daMixtureCoefficient_dp derivative of mixture coefficient (A) wrt pressure - * @param[in] dbMixtureCoefficient_dp derivative of mixture coefficient (B) wrt pressure - * @param[in] daMixtureCoefficient_dt derivative of mixture coefficient (A) wrt temperature - * @param[in] dbMixtureCoefficient_dt derivative of mixture coefficient (B) wrt temperature - * @param[in] daMixtureCoefficient_dz derivative of mixture coefficient (A) wrt composition - * @param[in] dbMixtureCoefficient_dz derivative of mixture coefficient (B) wrt composition - * @param[out] dCompressibilityFactor_dp derivative of the compressibility factor wrt pressure - * @param[out] dCompressibilityFactor_dt derivative of the compressibility factor wrt temperature - * @param[out] dCompressibilityFactor_dz derivative of the compressibility factor wrt composition + * @param[in] aMixtureCoefficientDerivs derivatives of mixture coefficient (A) + * @param[in] bMixtureCoefficientDerivs derivatives of mixture coefficient (B) + * @param[out] compressibilityFactorDerivs derivatives of the compressibility factor * @note Assumes that pressure and temperature are strictly positive */ GEOS_HOST_DEVICE @@ -209,15 +306,9 @@ struct CubicEOSPhaseModel real64 const & aMixtureCoefficient, real64 const & bMixtureCoefficient, real64 const & compressibilityFactor, - real64 const & daMixtureCoefficient_dp, - real64 const & dbMixtureCoefficient_dp, - real64 const & daMixtureCoefficient_dt, - real64 const & dbMixtureCoefficient_dt, - arraySlice1d< real64 const > const daMixtureCoefficient_dz, - arraySlice1d< real64 const > const dbMixtureCoefficient_dz, - real64 & dCompressibilityFactor_dp, - real64 & dCompressibilityFactor_dt, - arraySlice1d< real64 > const dCompressibilityFactor_dz ); + arraySlice1d< real64 const > const & aMixtureCoefficientDerivs, + arraySlice1d< real64 const > const & bMixtureCoefficientDerivs, + arraySlice1d< real64 > const & compressibilityFactorDerivs ); /** * @brief Compute the log of the fugacity coefficients using compositions, BICs, compressibility factor and mixture coefficients @@ -231,18 +322,19 @@ struct CubicEOSPhaseModel * @param[in] bMixtureCoefficient mixture coefficient (B) * @param[out] logFugacityCoefficients log of the fugacity coefficients */ + template< integer USD > GEOS_HOST_DEVICE GEOS_FORCE_INLINE static void computeLogFugacityCoefficients( integer const numComps, - arrayView1d< real64 const > const composition, - arrayView2d< real64 const > const & binaryInteractionCoefficients, + arraySlice1d< real64 const, USD > const & composition, + arraySlice2d< real64 const > const & binaryInteractionCoefficients, real64 const & compressibilityFactor, - arraySlice1d< real64 const > const aPureCoefficient, - arraySlice1d< real64 const > const bPureCoefficient, + arraySlice1d< real64 const > const & aPureCoefficient, + arraySlice1d< real64 const > const & bPureCoefficient, real64 const & aMixtureCoefficient, real64 const & bMixtureCoefficient, - arraySlice1d< real64 > const logFugacityCoefficients ); + arraySlice1d< real64 > const & logFugacityCoefficients ); /** * @brief Helper functions solving a cubic equation using trigonometry @@ -267,15 +359,16 @@ struct CubicEOSPhaseModel }; template< typename EOS_TYPE > +template< integer USD > GEOS_HOST_DEVICE void CubicEOSPhaseModel< EOS_TYPE >:: computeLogFugacityCoefficients( integer const numComps, real64 const & pressure, real64 const & temperature, - arrayView1d< real64 const > const composition, + arraySlice1d< real64 const, USD > const & composition, ComponentProperties::KernelWrapper const & componentProperties, - arraySlice1d< real64 > const logFugacityCoefficients ) + arraySlice1d< real64 > const & logFugacityCoefficients ) { // step 0: allocate the stack memory needed for the update stackArray1d< real64, MultiFluidConstants::MAX_NUM_COMPONENTS > aPureCoefficient( numComps ); @@ -284,7 +377,7 @@ computeLogFugacityCoefficients( integer const numComps, real64 bMixtureCoefficient = 0.0; real64 compressibilityFactor = 0.0; - arrayView2d< real64 const > const & binaryInteractionCoefficients = componentProperties.m_componentBinaryCoeff; + arraySlice2d< real64 const > const & binaryInteractionCoefficients = componentProperties.m_componentBinaryCoeff; // step 1: compute the mixture coefficients aPureCoefficient, bPureCoefficient, aMixtureCoefficient, bMixtureCoefficient computeMixtureCoefficients( numComps, // number of components @@ -319,33 +412,335 @@ computeLogFugacityCoefficients( integer const numComps, logFugacityCoefficients ); // output } +template< typename EOS_TYPE > +template< integer USD > +GEOS_HOST_DEVICE +void +CubicEOSPhaseModel< EOS_TYPE >:: +computeLogFugacityCoefficients( integer const numComps, + real64 const & pressure, + real64 const & temperature, + arraySlice1d< real64 const, USD > const & composition, + ComponentProperties::KernelWrapper const & componentProperties, + arraySlice1d< real64 const > const & logFugacityCoefficients, + arraySlice2d< real64 > const & logFugacityCoefficientDerivs ) +{ + integer constexpr numMaxComps = MultiFluidConstants::MAX_NUM_COMPONENTS; + integer constexpr numMaxDofs = MultiFluidConstants::MAX_NUM_COMPONENTS + 2; + integer const numDofs = 2 + numComps; + + GEOS_UNUSED_VAR( logFugacityCoefficients ); + + stackArray1d< real64, numMaxComps > aPureCoefficient( numComps ); + stackArray1d< real64, numMaxComps > bPureCoefficient( numComps ); + stackArray2d< real64, 2*numMaxComps > aPureCoefficientDerivs( numComps, 2 ); + stackArray2d< real64, 2*numMaxComps > bPureCoefficientDerivs( numComps, 2 ); + real64 aMixtureCoefficient = 0.0; + real64 bMixtureCoefficient = 0.0; + real64 compressibilityFactor = 0.0; + stackArray1d< real64, numMaxDofs > aMixtureCoefficientDerivs( numDofs ); + stackArray1d< real64, numMaxDofs > bMixtureCoefficientDerivs( numDofs ); + stackArray1d< real64, numMaxDofs > compressibilityFactorDerivs( numDofs ); + + arraySlice2d< real64 const > const & binaryInteractionCoefficients = componentProperties.m_componentBinaryCoeff; + + // 1.1: Compute the pure and mixture coefficients + computeMixtureCoefficients( numComps, // number of components + pressure, // cell input + temperature, + composition, + componentProperties, // user input, + aPureCoefficient, // output + bPureCoefficient, + aMixtureCoefficient, + bMixtureCoefficient ); + + // 1.2: Compute pure coefficient derivatives + for( integer ic = 0; ic < numComps; ++ic ) + { + computePureCoefficients( ic, + pressure, + temperature, + componentProperties, + aPureCoefficient[ic], + bPureCoefficient[ic], + aPureCoefficientDerivs( ic, Deriv::dP ), + bPureCoefficientDerivs( ic, Deriv::dP ), + aPureCoefficientDerivs( ic, Deriv::dT ), + bPureCoefficientDerivs( ic, Deriv::dT )); + } + + // 1.3: Compute mixture coefficient derivatives + computeMixtureCoefficients( numComps, + pressure, + temperature, + composition, + componentProperties, + aPureCoefficient, + bPureCoefficient, + aMixtureCoefficient, + bMixtureCoefficient, + aMixtureCoefficientDerivs, + bMixtureCoefficientDerivs ); + + // 2.1: Update the compressibility factor + computeCompressibilityFactor( numComps, // number of components + composition, // cell input + binaryInteractionCoefficients, // user input + aPureCoefficient, // computed by computeMixtureCoefficients + bPureCoefficient, + aMixtureCoefficient, + bMixtureCoefficient, + compressibilityFactor ); // output + // 2.2: Update the compressibility factor derivatives + computeCompressibilityFactor( numComps, + aMixtureCoefficient, + bMixtureCoefficient, + compressibilityFactor, + aMixtureCoefficientDerivs, + bMixtureCoefficientDerivs, + compressibilityFactorDerivs ); + + // 3. Calculate derivatives of the logarithm of the fugacity coefficients + stackArray1d< real64, numMaxComps > ki( numComps ); + stackArray2d< real64, numMaxComps * numMaxDofs > dki( numComps, numDofs ); + + // ki + for( integer ic = 0; ic < numComps; ++ic ) + { + ki[ic] = 0.0; + dki( ic, Deriv::dP ) = 0.0; + dki( ic, Deriv::dT ) = 0.0; + for( integer jc = 0; jc < numComps; ++jc ) + { + real64 const aCoeffI = sqrt( aPureCoefficient[ic] ); + real64 const aCoeffJ = sqrt( aPureCoefficient[jc] ); + real64 const kij = ( 1.0 - binaryInteractionCoefficients( ic, jc ) ) * aCoeffI * aCoeffJ; + ki[ic] += composition[jc] * kij; + dki( ic, Deriv::dC + jc ) = kij; + dki( ic, Deriv::dP ) += 0.5 * composition[jc] * kij * ( aPureCoefficientDerivs( ic, Deriv::dP )/aPureCoefficient[ic] + aPureCoefficientDerivs( jc, Deriv::dP )/aPureCoefficient[jc] ); + dki( ic, Deriv::dT ) += 0.5 * composition[jc] * kij * ( aPureCoefficientDerivs( ic, Deriv::dT )/aPureCoefficient[ic] + aPureCoefficientDerivs( jc, Deriv::dT )/aPureCoefficient[jc] ); + } + } + + auto const calculateDerivatives = [&]( integer const kc ){ + real64 const E = log( compressibilityFactor + EOS_TYPE::delta1 * bMixtureCoefficient ) + - log( compressibilityFactor + EOS_TYPE::delta2 * bMixtureCoefficient ); + + real64 const dE_dX = (compressibilityFactorDerivs[kc] + EOS_TYPE::delta1*bMixtureCoefficientDerivs[kc])/( compressibilityFactor + EOS_TYPE::delta1 * bMixtureCoefficient ) + -(compressibilityFactorDerivs[kc] + EOS_TYPE::delta2*bMixtureCoefficientDerivs[kc])/( compressibilityFactor + EOS_TYPE::delta2 * bMixtureCoefficient ); + + //real64 const F = log( compressibilityFactor - bMixtureCoefficient ); + real64 const dF_dX = (compressibilityFactorDerivs[kc] - bMixtureCoefficientDerivs[kc])/(compressibilityFactor - bMixtureCoefficient); + + real64 const G = 1.0 / ( ( EOS_TYPE::delta1 - EOS_TYPE::delta2 ) * bMixtureCoefficient ); + real64 const dG_dX = -G * bMixtureCoefficientDerivs[kc] / bMixtureCoefficient; + + real64 const A = aMixtureCoefficient; + real64 const dA_dX = aMixtureCoefficientDerivs[kc]; + + for( integer ic = 0; ic < numComps; ++ic ) + { + real64 const B = bPureCoefficient[ic] / bMixtureCoefficient; + real64 dB_dX = -B*bMixtureCoefficientDerivs[kc] / bMixtureCoefficient; + if( kc < Deriv::dC ) + { + dB_dX += bPureCoefficientDerivs( ic, kc ) / bMixtureCoefficient; + } + + // lnPhi = ( compressibilityFactor - 1 ) * B - F - G * ( 2 * ki[ic] - A * B ) * E; + logFugacityCoefficientDerivs( ic, kc ) = + compressibilityFactorDerivs[kc]*B + ( compressibilityFactor - 1 ) * dB_dX + - dF_dX + - dG_dX * ( 2 * ki[ic] - A * B ) * E + - G * ( 2 * dki( ic, kc ) - dA_dX * B - A * dB_dX ) * E + - G * ( 2 * ki[ic] - A * B ) * dE_dX; + } + }; + + calculateDerivatives( Deriv::dP ); + calculateDerivatives( Deriv::dT ); + + for( integer jc = 0; jc < numComps; ++jc ) + { + calculateDerivatives( Deriv::dC+jc ); + } +} + +template< typename EOS_TYPE > +template< integer USD > +GEOS_HOST_DEVICE +void +CubicEOSPhaseModel< EOS_TYPE >:: +computeCompressibilityFactor( integer const numComps, + real64 const & pressure, + real64 const & temperature, + arraySlice1d< real64 const, USD > const & composition, + ComponentProperties::KernelWrapper const & componentProperties, + real64 & compressibilityFactor, + arraySlice1d< real64 > const & compressibilityFactorDerivs ) +{ + // step 0: allocate the stack memory needed for the update + integer constexpr numMaxComps = MultiFluidConstants::MAX_NUM_COMPONENTS; + integer constexpr numMaxDofs = MultiFluidConstants::MAX_NUM_COMPONENTS + 2; + integer const numDofs = 2 + numComps; + + stackArray1d< real64, numMaxComps > aPureCoefficient( numComps ); + stackArray1d< real64, numMaxComps > bPureCoefficient( numComps ); + real64 aMixtureCoefficient = 0.0; + real64 bMixtureCoefficient = 0.0; + stackArray1d< real64, numMaxDofs > aMixtureCoefficientDerivs( numDofs ); + stackArray1d< real64, numMaxDofs > bMixtureCoefficientDerivs( numDofs ); + + arraySlice2d< real64 const > const & binaryInteractionCoefficients = componentProperties.m_componentBinaryCoeff; + + // step 1: compute the mixture coefficients aPureCoefficient, bPureCoefficient, aMixtureCoefficient, bMixtureCoefficient + // 1.1: Compute the pure and mixture coefficients + computeMixtureCoefficients( numComps, // number of components + pressure, // cell input + temperature, + composition, + componentProperties, // user input, + aPureCoefficient, // output + bPureCoefficient, + aMixtureCoefficient, + bMixtureCoefficient ); + + // 1.2: Compute mixture coefficient derivatives + computeMixtureCoefficients( numComps, + pressure, + temperature, + composition, + componentProperties, + aPureCoefficient, + bPureCoefficient, + aMixtureCoefficient, + bMixtureCoefficient, + aMixtureCoefficientDerivs, + bMixtureCoefficientDerivs ); + + // 2.1: Update the compressibility factor + computeCompressibilityFactor( numComps, // number of components + composition, // cell input + binaryInteractionCoefficients, // user input + aPureCoefficient, // computed by computeMixtureCoefficients + bPureCoefficient, + aMixtureCoefficient, + bMixtureCoefficient, + compressibilityFactor ); // output + + // 2.2: Update the compressibility factor derivatives + computeCompressibilityFactor( numComps, + aMixtureCoefficient, + bMixtureCoefficient, + compressibilityFactor, + aMixtureCoefficientDerivs, + bMixtureCoefficientDerivs, + compressibilityFactorDerivs ); +} + +template< typename EOS_TYPE > +void +CubicEOSPhaseModel< EOS_TYPE >:: +calculateDimensionalVolumeShift( ComponentProperties const & componentProperties, + arraySlice1d< real64 > const & dimensionalVolumeShift ) +{ + integer const numComps = componentProperties.getNumberOfComponents(); + for( integer ic = 0; ic < numComps; ++ic ) + { + real64 const Vs = componentProperties.getComponentVolumeShift()[ic]; + real64 const Pc = componentProperties.getComponentCriticalPressure()[ic]; + real64 const Tc = componentProperties.getComponentCriticalTemperature()[ic]; + real64 constexpr omegaB = EOS_TYPE::omegaB; + dimensionalVolumeShift[ic] = constants::gasConstant * Vs * omegaB * Tc / Pc; + } +} + template< typename EOS_TYPE > GEOS_HOST_DEVICE void CubicEOSPhaseModel< EOS_TYPE >:: +computePureCoefficients( integer const ic, + real64 const & pressure, + real64 const & temperature, + ComponentProperties::KernelWrapper const & componentProperties, + real64 & aCoefficient, + real64 & bCoefficient ) +{ + real64 daCoefficient_dp = 0.0; + real64 dbCoefficient_dp = 0.0; + real64 daCoefficient_dt = 0.0; + real64 dbCoefficient_dt = 0.0; + computePureCoefficients( ic, + pressure, + temperature, + componentProperties, + aCoefficient, + bCoefficient, + daCoefficient_dp, + dbCoefficient_dp, + daCoefficient_dt, + dbCoefficient_dt ); +} + + +template< typename EOS_TYPE > +GEOS_HOST_DEVICE +void +CubicEOSPhaseModel< EOS_TYPE >:: +computePureCoefficients( integer const ic, + real64 const & pressure, + real64 const & temperature, + ComponentProperties::KernelWrapper const & componentProperties, + real64 & aCoefficient, + real64 & bCoefficient, + real64 & daCoefficient_dp, + real64 & dbCoefficient_dp, + real64 & daCoefficient_dt, + real64 & dbCoefficient_dt ) +{ + arraySlice1d< real64 const > const & criticalPressure = componentProperties.m_componentCriticalPressure; + arraySlice1d< real64 const > const & criticalTemperature = componentProperties.m_componentCriticalTemperature; + arraySlice1d< real64 const > const & acentricFactor = componentProperties.m_componentAcentricFactor; + + real64 const m = EOS_TYPE::evaluate( acentricFactor[ic] ); + real64 const pr = pressure / criticalPressure[ic]; + real64 const tr = temperature / criticalTemperature[ic]; + + real64 const sqrtTr = sqrt( tr ); + real64 const mt = 1.0 + m * (1.0 - sqrtTr); + + aCoefficient = EOS_TYPE::omegaA * pr / (tr*tr) * mt * mt; + bCoefficient = EOS_TYPE::omegaB * pr / tr; + + daCoefficient_dp = aCoefficient / pressure; + dbCoefficient_dp = bCoefficient / pressure; + + daCoefficient_dt = -aCoefficient * (2.0/temperature + m/(mt * sqrtTr * criticalTemperature[ic])); + dbCoefficient_dt = -bCoefficient / temperature; +} + +template< typename EOS_TYPE > +template< integer USD > +GEOS_HOST_DEVICE +void +CubicEOSPhaseModel< EOS_TYPE >:: computeMixtureCoefficients( integer const numComps, real64 const & pressure, real64 const & temperature, - arrayView1d< real64 const > const composition, + arraySlice1d< real64 const, USD > const & composition, ComponentProperties::KernelWrapper const & componentProperties, - arraySlice1d< real64 > const aPureCoefficient, - arraySlice1d< real64 > const bPureCoefficient, + arraySlice1d< real64 > const & aPureCoefficient, + arraySlice1d< real64 > const & bPureCoefficient, real64 & aMixtureCoefficient, real64 & bMixtureCoefficient ) { - arrayView1d< real64 const > const & criticalPressure = componentProperties.m_componentCriticalPressure; - arrayView1d< real64 const > const & criticalTemperature = componentProperties.m_componentCriticalTemperature; - arrayView1d< real64 const > const & acentricFactor = componentProperties.m_componentAcentricFactor; - arrayView2d< real64 const > const & binaryInteractionCoefficients = componentProperties.m_componentBinaryCoeff; + arraySlice2d< real64 const > const & binaryInteractionCoefficients = componentProperties.m_componentBinaryCoeff; // mixture coefficients for( integer ic = 0; ic < numComps; ++ic ) { - real64 const m = EOS_TYPE::evaluate( acentricFactor[ic] ); - real64 const pr = pressure / criticalPressure[ic]; - real64 const tr = temperature / criticalTemperature[ic]; - aPureCoefficient[ic] = EOS_TYPE::omegaA * pr / (tr*tr) * pow( 1.0 + m * ( 1.0 - sqrt( tr ) ), 2.0 ); - bPureCoefficient[ic] = EOS_TYPE::omegaB * pr / tr; + computePureCoefficients( ic, pressure, temperature, componentProperties, aPureCoefficient[ic], bPureCoefficient[ic] ); } aMixtureCoefficient = 0.0; @@ -354,89 +749,85 @@ computeMixtureCoefficients( integer const numComps, { for( integer jc = 0; jc < numComps; ++jc ) { - aMixtureCoefficient += ( composition[ic] * composition[jc] * ( 1.0 - binaryInteractionCoefficients( ic, jc ) ) * sqrt( aPureCoefficient[ic] * aPureCoefficient[jc] ) ); + aMixtureCoefficient += composition[ic] * composition[jc] * ( 1.0 - binaryInteractionCoefficients( ic, jc ) ) * sqrt( aPureCoefficient[ic] * aPureCoefficient[jc] ); } bMixtureCoefficient += composition[ic] * bPureCoefficient[ic]; } } template< typename EOS_TYPE > +template< integer USD > GEOS_HOST_DEVICE void CubicEOSPhaseModel< EOS_TYPE >:: computeMixtureCoefficients( integer const numComps, real64 const & pressure, real64 const & temperature, - arrayView1d< real64 const > const composition, + arraySlice1d< real64 const, USD > const & composition, ComponentProperties::KernelWrapper const & componentProperties, - arraySlice1d< real64 const > const aPureCoefficient, - arraySlice1d< real64 const > const bPureCoefficient, + arraySlice1d< real64 const > const & aPureCoefficient, + arraySlice1d< real64 const > const & bPureCoefficient, real64 const aMixtureCoefficient, real64 const bMixtureCoefficient, - real64 & daMixtureCoefficient_dp, - real64 & dbMixtureCoefficient_dp, - real64 & daMixtureCoefficient_dt, - real64 & dbMixtureCoefficient_dt, - arraySlice1d< real64 > const daMixtureCoefficient_dz, - arraySlice1d< real64 > const dbMixtureCoefficient_dz ) + arraySlice1d< real64 > const & aMixtureCoefficientDerivs, + arraySlice1d< real64 > const & bMixtureCoefficientDerivs ) { - arrayView1d< real64 const > const & criticalTemperature = componentProperties.m_componentCriticalTemperature; - arrayView1d< real64 const > const & acentricFactor = componentProperties.m_componentAcentricFactor; - arrayView2d< real64 const > const & binaryInteractionCoefficients = componentProperties.m_componentBinaryCoeff; - - stackArray1d< real64, MultiFluidConstants::MAX_NUM_COMPONENTS > daPureCoefficient_dx( numComps ); + arraySlice2d< real64 const > const & binaryInteractionCoefficients = componentProperties.m_componentBinaryCoeff; // Calculate pressure derivatives - daMixtureCoefficient_dp = aMixtureCoefficient / pressure; - dbMixtureCoefficient_dp = bMixtureCoefficient / pressure; + aMixtureCoefficientDerivs[Deriv::dP] = aMixtureCoefficient / pressure; + bMixtureCoefficientDerivs[Deriv::dP] = bMixtureCoefficient / pressure; // Calculate temperature derivatives + real64 aCoefficient = 0.0; + real64 bCoefficient = 0.0; + real64 dummy = 0.0; + stackArray1d< real64, MultiFluidConstants::MAX_NUM_COMPONENTS > daPureCoefficient_dt( numComps ); for( integer ic = 0; ic < numComps; ++ic ) { - real64 const m = EOS_TYPE::evaluate( acentricFactor[ic] ); - real64 const sqrtTr = sqrt( temperature / criticalTemperature[ic] ); - real64 const mt = 1.0 + m * (1.0 - sqrtTr); - daPureCoefficient_dx[ic] = -aPureCoefficient[ic] * (2.0/temperature + m/(mt*sqrtTr*criticalTemperature[ic])); + computePureCoefficients( ic, pressure, temperature, componentProperties, + aCoefficient, bCoefficient, dummy, dummy, daPureCoefficient_dt[ic], dummy ); } - daMixtureCoefficient_dt = 0.0; - dbMixtureCoefficient_dt = -bMixtureCoefficient / temperature; + aMixtureCoefficientDerivs[Deriv::dT] = 0.0; + bMixtureCoefficientDerivs[Deriv::dT] = -bMixtureCoefficient / temperature; for( integer ic = 0; ic < numComps; ++ic ) { for( integer jc = 0; jc < numComps; ++jc ) { real64 const coeff = composition[ic] * composition[jc] * ( 1.0 - binaryInteractionCoefficients( ic, jc ) ) / sqrt( aPureCoefficient[ic] * aPureCoefficient[jc] ); - daMixtureCoefficient_dt += 0.5 * coeff * (daPureCoefficient_dx[ic]*aPureCoefficient[jc] + daPureCoefficient_dx[jc]*aPureCoefficient[ic]); + aMixtureCoefficientDerivs[Deriv::dT] += 0.5 * coeff * (daPureCoefficient_dt[ic]*aPureCoefficient[jc] + daPureCoefficient_dt[jc]*aPureCoefficient[ic]); } } // Calculate composition derivatives for( integer ic = 0; ic < numComps; ++ic ) { - daMixtureCoefficient_dz[ic] = 0.0; - dbMixtureCoefficient_dz[ic] = 0.0; + aMixtureCoefficientDerivs[Deriv::dC+ic] = 0.0; + bMixtureCoefficientDerivs[Deriv::dC+ic] = 0.0; } for( integer ic = 0; ic < numComps; ++ic ) { for( integer jc = 0; jc < numComps; ++jc ) { real64 const coeff = ( 1.0 - binaryInteractionCoefficients( ic, jc ) ) * sqrt( aPureCoefficient[ic] * aPureCoefficient[jc] ); - daMixtureCoefficient_dz[ic] += coeff * composition[jc]; - daMixtureCoefficient_dz[jc] += coeff * composition[ic]; + aMixtureCoefficientDerivs[Deriv::dC+ic] += coeff * composition[jc]; + aMixtureCoefficientDerivs[Deriv::dC+jc] += coeff * composition[ic]; } - dbMixtureCoefficient_dz[ic] = bPureCoefficient[ic]; + bMixtureCoefficientDerivs[Deriv::dC+ic] = bPureCoefficient[ic]; } } template< typename EOS_TYPE > +template< integer USD > GEOS_HOST_DEVICE void CubicEOSPhaseModel< EOS_TYPE >:: computeCompressibilityFactor( integer const numComps, - arrayView1d< real64 const > const composition, - arrayView2d< real64 const > const & binaryInteractionCoefficients, - arraySlice1d< real64 const > const aPureCoefficient, - arraySlice1d< real64 const > const bPureCoefficient, + arraySlice1d< real64 const, USD > const & composition, + arraySlice2d< real64 const > const & binaryInteractionCoefficients, + arraySlice1d< real64 const > const & aPureCoefficient, + arraySlice1d< real64 const > const & bPureCoefficient, real64 const & aMixtureCoefficient, real64 const & bMixtureCoefficient, real64 & compressibilityFactor ) @@ -505,80 +896,61 @@ computeCompressibilityFactor( integer const numComps, real64 const & aMixtureCoefficient, real64 const & bMixtureCoefficient, real64 const & compressibilityFactor, - real64 const & daMixtureCoefficient_dp, - real64 const & dbMixtureCoefficient_dp, - real64 const & daMixtureCoefficient_dt, - real64 const & dbMixtureCoefficient_dt, - arraySlice1d< real64 const > const daMixtureCoefficient_dz, - arraySlice1d< real64 const > const dbMixtureCoefficient_dz, - real64 & dcompressibilityFactor_dp, - real64 & dcompressibilityFactor_dt, - arraySlice1d< real64 > const dcompressibilityFactor_dz ) + arraySlice1d< real64 const > const & aMixtureCoefficientDerivs, + arraySlice1d< real64 const > const & bMixtureCoefficientDerivs, + arraySlice1d< real64 > const & compressibilityFactorDerivs ) { - // a Z3 + b Z2 + cZ + d = 0 - // Derivatives for a,b,c,d - // dadx is zero; - real64 dbdx = 0.0; - real64 dcdx = 0.0; - real64 dddx = 0.0; - - constexpr real64 d1pd2 = EOS_TYPE::delta1 + EOS_TYPE::delta2; - constexpr real64 d1xd2 = EOS_TYPE::delta1 * EOS_TYPE::delta2; + real64 constexpr d1pd2 = EOS_TYPE::delta1 + EOS_TYPE::delta2; + real64 constexpr d1xd2 = EOS_TYPE::delta1 * EOS_TYPE::delta2; - constexpr real64 a = 1.0; + real64 constexpr a = 1.0; real64 const b = ( d1pd2 - 1.0 ) * bMixtureCoefficient - 1.0; real64 const c = aMixtureCoefficient + d1xd2 * bMixtureCoefficient * bMixtureCoefficient - d1pd2 * bMixtureCoefficient * ( bMixtureCoefficient + 1.0 ); // Implicit differentiation scale real64 const denominator = (3.0*a*compressibilityFactor + 2.0*b)*compressibilityFactor + c; - constexpr real64 epsilon = MultiFluidConstants::epsilon; - real64 const scalingFactor = fabs( denominator ) < epsilon ? 0.0 : -1.0 / denominator; - - // Pressure derivatives - dbdx = ( d1pd2 - 1.0 ) * dbMixtureCoefficient_dp; - dcdx = daMixtureCoefficient_dp + (2.0*(d1xd2-d1pd2)*bMixtureCoefficient-d1pd2)*dbMixtureCoefficient_dp; - dddx = -(aMixtureCoefficient*dbMixtureCoefficient_dp + daMixtureCoefficient_dp*bMixtureCoefficient - + d1xd2*((3.0*bMixtureCoefficient+2.0)*bMixtureCoefficient*dbMixtureCoefficient_dp)); - dcompressibilityFactor_dp = (((dbdx*compressibilityFactor) + dcdx)*compressibilityFactor + dddx) * scalingFactor; - - // Temperature derivatives - dbdx = ( d1pd2 - 1.0 ) * dbMixtureCoefficient_dt; - dcdx = daMixtureCoefficient_dt + (2.0*(d1xd2-d1pd2)*bMixtureCoefficient-d1pd2)*dbMixtureCoefficient_dt; - dddx = -(aMixtureCoefficient*dbMixtureCoefficient_dt + daMixtureCoefficient_dt*bMixtureCoefficient - + d1xd2*((3.0*bMixtureCoefficient+2.0)*bMixtureCoefficient*dbMixtureCoefficient_dt)); - dcompressibilityFactor_dt = (((dbdx*compressibilityFactor) + dcdx)*compressibilityFactor + dddx) * scalingFactor; - - // Composition derivatives - for( integer ic = 0; ic < numComps; ++ic ) + real64 const scalingFactor = LvArray::math::abs( denominator ) < MultiFluidConstants::epsilon ? 0.0 : -1.0 / denominator; + + integer const numDofs = numComps + 2; + + for( integer kc = 0; kc < numDofs; ++kc ) { - dbdx = ( d1pd2 - 1.0 ) * dbMixtureCoefficient_dz[ic]; - dcdx = daMixtureCoefficient_dz[ic] + (2.0*(d1xd2-d1pd2)*bMixtureCoefficient-d1pd2)*dbMixtureCoefficient_dz[ic]; - dddx = -(aMixtureCoefficient*dbMixtureCoefficient_dz[ic] + daMixtureCoefficient_dz[ic]*bMixtureCoefficient - + d1xd2*((3.0*bMixtureCoefficient+2.0)*bMixtureCoefficient*dbMixtureCoefficient_dz[ic])); - dcompressibilityFactor_dz[ic] = (((dbdx*compressibilityFactor) + dcdx)*compressibilityFactor + dddx) * scalingFactor; + // Given derivative of the mixture parameters a and b w.r.t. variable X, calculate the derivative of the + // compressibility factor (z-factor) w.r.t. X + real64 const da_dX = aMixtureCoefficientDerivs[kc]; + real64 const db_dX = bMixtureCoefficientDerivs[kc]; + // a Z3 + b Z2 + cZ + d = 0 + // Derivatives for a,b,c,d + real64 const dbdx = ( d1pd2 - 1.0 ) * db_dX; + real64 const dcdx = da_dX + ( 2.0*(d1xd2-d1pd2) * bMixtureCoefficient - d1pd2 )*db_dX; + real64 const dddx = -(aMixtureCoefficient*db_dX + da_dX*bMixtureCoefficient + + d1xd2*((3.0*bMixtureCoefficient+2.0)*bMixtureCoefficient*db_dX)); + compressibilityFactorDerivs[kc] = (((dbdx*compressibilityFactor) + dcdx)*compressibilityFactor + dddx) * scalingFactor; } } template< typename EOS_TYPE > +template< integer USD > GEOS_HOST_DEVICE void CubicEOSPhaseModel< EOS_TYPE >:: computeLogFugacityCoefficients( integer const numComps, - arrayView1d< real64 const > const composition, - arrayView2d< real64 const > const & binaryInteractionCoefficients, + arraySlice1d< real64 const, USD > const & composition, + arraySlice2d< real64 const > const & binaryInteractionCoefficients, real64 const & compressibilityFactor, - arraySlice1d< real64 const > const aPureCoefficient, - arraySlice1d< real64 const > const bPureCoefficient, + arraySlice1d< real64 const > const & aPureCoefficient, + arraySlice1d< real64 const > const & bPureCoefficient, real64 const & aMixtureCoefficient, real64 const & bMixtureCoefficient, - arraySlice1d< real64 > const logFugacityCoefficients ) + arraySlice1d< real64 > const & logFugacityCoefficients ) { stackArray1d< real64, MultiFluidConstants::MAX_NUM_COMPONENTS > ki( numComps ); // ki for( integer ic = 0; ic < numComps; ++ic ) { + ki[ic] = 0.0; for( integer jc = 0; jc < numComps; ++jc ) { ki[ic] += composition[jc] * ( 1.0 - binaryInteractionCoefficients( ic, jc ) ) * sqrt( aPureCoefficient[ic] * aPureCoefficient[jc] ); @@ -586,9 +958,13 @@ computeLogFugacityCoefficients( integer const numComps, } // E - real64 const E = log( ( compressibilityFactor + EOS_TYPE::delta1 * bMixtureCoefficient ) - / ( compressibilityFactor + EOS_TYPE::delta2 * bMixtureCoefficient ) ); - real64 const F = log( compressibilityFactor - bMixtureCoefficient ); + real64 const expE = ( compressibilityFactor + EOS_TYPE::delta1 * bMixtureCoefficient ) / + ( compressibilityFactor + EOS_TYPE::delta2 * bMixtureCoefficient ); + real64 const expF = compressibilityFactor - bMixtureCoefficient; + GEOS_ERROR_IF( expE < MultiFluidConstants::epsilon || expF < MultiFluidConstants::epsilon, + GEOS_FMT( "Cubic EOS failed with exp(E)={} and exp(F)={}", expE, expF )); + real64 const E = log( expE ); + real64 const F = log( expF ); real64 const G = 1.0 / ( ( EOS_TYPE::delta1 - EOS_TYPE::delta2 ) * bMixtureCoefficient ); real64 const A = aMixtureCoefficient; @@ -644,6 +1020,9 @@ solveCubicPolynomial( real64 const & m3, } } +using CubicEOSPR = CubicEOSPhaseModel< PengRobinsonEOS >; +using CubicEOSSRK = CubicEOSPhaseModel< SoaveRedlichKwongEOS >; + } // namespace compositional } // namespace constitutive diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/KValueInitialization.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/KValueInitialization.hpp index 0ef7352233e..69e9d330496 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/KValueInitialization.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/KValueInitialization.hpp @@ -42,6 +42,7 @@ struct KValueInitialization * @param[in] componentProperties The compositional component properties * @param[out] kValues the calculated k-values **/ + template< integer USD > GEOS_HOST_DEVICE GEOS_FORCE_INLINE static void @@ -49,7 +50,7 @@ struct KValueInitialization real64 const pressure, real64 const temperature, ComponentProperties::KernelWrapper const & componentProperties, - arraySlice1d< real64 > const kValues ) + arraySlice1d< real64, USD > const & kValues ) { arrayView1d< real64 const > const & criticalPressure = componentProperties.m_componentCriticalPressure; arrayView1d< real64 const > const & criticalTemperature = componentProperties.m_componentCriticalTemperature; @@ -62,6 +63,39 @@ struct KValueInitialization } } + /** + * @brief Calculate gas-liquid k-values near the convergence pressure + * @param[in] numComps number of components + * @param[in] pressure pressure + * @param[in] temperature temperature + * @param[in] componentProperties The compositional component properties + * @param[out] kValues the calculated k-values + **/ + template< integer USD > + GEOS_HOST_DEVICE + GEOS_FORCE_INLINE + static void + computeConstantLiquidKvalue( integer const numComps, + real64 const pressure, + real64 const temperature, + ComponentProperties::KernelWrapper const & componentProperties, + arraySlice1d< real64, USD > const & kValues ) + { + GEOS_UNUSED_VAR( pressure, temperature ); + arrayView1d< real64 const > const & criticalPressure = componentProperties.m_componentCriticalPressure; + real64 averagePressure = 0.0; // Average pressure + for( integer ic = 0; ic < numComps; ++ic ) + { + averagePressure += criticalPressure[ic]; + } + averagePressure /= numComps; + constexpr real64 kValueGap = 0.01; + for( integer ic = 0; ic < numComps; ++ic ) + { + kValues[ic] = criticalPressure[ic] < averagePressure ? 1.0/(1.0 + kValueGap) : 1.0/(1.0 - kValueGap); + } + } + /** * @brief Calculate water-gas k-value * @param[in] pressure pressure diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/NegativeTwoPhaseFlash.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/NegativeTwoPhaseFlash.hpp index 7cd8e9508cf..8498deabe1a 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/NegativeTwoPhaseFlash.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/NegativeTwoPhaseFlash.hpp @@ -24,6 +24,7 @@ #include "KValueInitialization.hpp" #include "constitutive/fluid/multifluid/MultiFluidConstants.hpp" #include "constitutive/fluid/multifluid/compositional/models/ComponentProperties.hpp" +#include "denseLinearAlgebra/interfaces/blaslapack/BlasLapackLA.hpp" namespace geos { @@ -36,6 +37,7 @@ namespace compositional struct NegativeTwoPhaseFlash { + using Deriv = geos::constitutive::multifluid::DerivativeOffset; public: /** * @brief Perform negative two-phase EOS flash @@ -49,23 +51,28 @@ struct NegativeTwoPhaseFlash * @param[out] vapourComposition the calculated vapour phase composition * @return an indicator of success of the flash */ - template< typename EOS_TYPE_LIQUID, typename EOS_TYPE_VAPOUR > + template< typename EOS_TYPE_LIQUID, typename EOS_TYPE_VAPOUR, integer USD1, integer USD2, integer USD3 > GEOS_HOST_DEVICE static bool compute( integer const numComps, real64 const pressure, real64 const temperature, - arrayView1d< real64 const > const composition, + arraySlice1d< real64 const, USD1 > const & composition, ComponentProperties::KernelWrapper const & componentProperties, + arraySlice2d< real64, USD3 > const & kValues, real64 & vapourPhaseMoleFraction, - arrayView1d< real64 > const liquidComposition, - arrayView1d< real64 > const vapourComposition ) + arraySlice1d< real64, USD2 > const & liquidComposition, + arraySlice1d< real64, USD2 > const & vapourComposition ) { constexpr integer maxNumComps = MultiFluidConstants::MAX_NUM_COMPONENTS; stackArray1d< real64, maxNumComps > logLiquidFugacity( numComps ); stackArray1d< real64, maxNumComps > logVapourFugacity( numComps ); - stackArray1d< real64, maxNumComps > kVapourLiquid( numComps ); stackArray1d< real64, maxNumComps > fugacityRatios( numComps ); - stackArray1d< integer, maxNumComps > presentComponentIds( numComps ); + stackArray1d< integer, maxNumComps > availableComponents( numComps ); + auto const & kVapourLiquid = kValues[0]; + + calculatePresentComponents( numComps, composition, availableComponents ); + + auto const presentComponents = availableComponents.toSliceConst(); // Initialise compositions to feed composition for( integer ic = 0; ic < numComps; ++ic ) @@ -74,109 +81,339 @@ struct NegativeTwoPhaseFlash vapourComposition[ic] = composition[ic]; } - // Check for machine-zero feed values - integer presentCount = 0; + // Check if k-Values need to be initialised + bool needInitialisation = true; for( integer ic = 0; ic < numComps; ++ic ) { - if( MultiFluidConstants::epsilon < composition[ic] ) + if( kVapourLiquid[ic] < MultiFluidConstants::epsilon ) { - presentComponentIds[presentCount++] = ic; + needInitialisation = true; + break; } } - presentComponentIds.resize( presentCount ); - KValueInitialization::computeWilsonGasLiquidKvalue( numComps, - pressure, - temperature, - componentProperties, - kVapourLiquid ); + bool kValueReset = true; + constexpr real64 boundsTolerance = 1.0e-3; + if( needInitialisation ) + { + KValueInitialization::computeWilsonGasLiquidKvalue( numComps, + pressure, + temperature, + componentProperties, + kVapourLiquid );/** + vapourPhaseMoleFraction = RachfordRice::solve( + kVapourLiquid.toSliceConst(), composition, presentComponents + ); + if( vapourPhaseMoleFraction < -boundsTolerance || + vapourPhaseMoleFraction > 1.0 + boundsTolerance ) + { + kValueReset = true; + KValueInitialization::computeConstantLiquidKvalue( numComps, + pressure, + temperature, + componentProperties, + kVapourLiquid ); + }*/ + } + + vapourPhaseMoleFraction = RachfordRice::solve( kVapourLiquid.toSliceConst(), composition, presentComponents ); + real64 const initialVapourFraction = vapourPhaseMoleFraction; bool converged = false; for( localIndex iterationCount = 0; iterationCount < MultiFluidConstants::maxSSIIterations; ++iterationCount ) { - // Solve Rachford-Rice Equation - vapourPhaseMoleFraction = RachfordRice::solve( kVapourLiquid, composition, presentComponentIds ); + real64 const error = computeFugacityRatio< EOS_TYPE_LIQUID, EOS_TYPE_VAPOUR >( + numComps, + pressure, + temperature, + composition, + componentProperties, + kVapourLiquid.toSliceConst(), + presentComponents, + vapourPhaseMoleFraction, + liquidComposition, + vapourComposition, + logLiquidFugacity.toSlice(), + logVapourFugacity.toSlice(), + fugacityRatios.toSlice() ); - // Assign phase compositions - for( integer const ic : presentComponentIds ) + // Compute fugacity ratios and check convergence + converged = (error < MultiFluidConstants::fugacityTolerance); + + if( converged ) { - liquidComposition[ic] = composition[ic] / ( 1.0 + vapourPhaseMoleFraction * ( kVapourLiquid[ic] - 1.0 ) ); - vapourComposition[ic] = kVapourLiquid[ic] * liquidComposition[ic]; + break; } - normalizeComposition( numComps, liquidComposition ); - normalizeComposition( numComps, vapourComposition ); + // Update K-values + if( (vapourPhaseMoleFraction < -boundsTolerance || vapourPhaseMoleFraction > 1.0+boundsTolerance) + && 0.2 < LvArray::math::abs( vapourPhaseMoleFraction-initialVapourFraction ) + && !kValueReset ) + { + KValueInitialization::computeConstantLiquidKvalue( numComps, + pressure, + temperature, + componentProperties, + kVapourLiquid ); + kValueReset = true; + } + else + { + for( integer const ic : presentComponents ) + { + kVapourLiquid[ic] *= exp( fugacityRatios[ic] ); + } + } +//std::cout +//<< std::setw(3) << iterationCount << " " +//<< std::setw(12) << pressure << " " +//<< std::setw(10) << temperature << " " +//<< std::setw(15) << error << " " +//<< std::setw(15) << vapourPhaseMoleFraction << " "; +//for( integer const ic : {0,1,8} ) +//{ +// std::cout << std::setw(15) << kVapourLiquid[ic] << " "; +//} +//std::cout +//<< "\n"; + } +//std::cout << "================================================================================\n"; + + // Retrieve physical bounds from negative flash values + if( vapourPhaseMoleFraction < MultiFluidConstants::epsilon ) + { + vapourPhaseMoleFraction = 0.0; + for( integer ic = 0; ic < numComps; ++ic ) + { + liquidComposition[ic] = composition[ic]; + vapourComposition[ic] = composition[ic]; + } + } + else if( 1.0 - vapourPhaseMoleFraction < MultiFluidConstants::epsilon ) + { + vapourPhaseMoleFraction = 1.0; + for( integer ic = 0; ic < numComps; ++ic ) + { + liquidComposition[ic] = composition[ic]; + vapourComposition[ic] = composition[ic]; + } + } + + return converged; + } + + /** + * @brief Calculate derivatives from the two-phase negative flash + * @param[in] numComps number of components + * @param[in] pressure pressure + * @param[in] temperature temperature + * @param[in] composition composition of the mixture + * @param[in] componentProperties The compositional component properties + * @param[in] vapourFraction the calculated vapour (gas) mole fraction + * @param[in] liquidComposition the calculated liquid phase composition + * @param[in] vapourComposition the calculated vapour phase composition + * @param[out] vapourFractionDerivs derivatives of the calculated vapour (gas) mole fraction + * @param[out] liquidCompositionDerivs derivatives of the calculated liquid phase composition + * @param[out] vapourCompositionDerivs derivatives of the calculated vapour phase composition + */ + template< typename EOS_TYPE_LIQUID, typename EOS_TYPE_VAPOUR, integer USD1, integer USD2 > + GEOS_HOST_DEVICE + static void computeDerivatives( integer const numComps, + real64 const pressure, + real64 const temperature, + arraySlice1d< real64 const > const & composition, + ComponentProperties::KernelWrapper const & componentProperties, + real64 const vapourFraction, + arraySlice1d< real64 const, USD1 > const & liquidComposition, + arraySlice1d< real64 const, USD1 > const & vapourComposition, + arraySlice1d< real64, USD1 > const & vapourFractionDerivs, + arraySlice2d< real64, USD2 > const & liquidCompositionDerivs, + arraySlice2d< real64, USD2 > const & vapourCompositionDerivs ) + { + constexpr integer maxNumComps = MultiFluidConstants::MAX_NUM_COMPONENTS; + constexpr integer maxNumDofs = MultiFluidConstants::MAX_NUM_COMPONENTS + 2; + + integer const numDofs = numComps + 2; + + auto const setZero = []( real64 & val ) { val = 0.0; }; + LvArray::forValuesInSlice( vapourFractionDerivs, setZero ); + LvArray::forValuesInSlice( liquidCompositionDerivs, setZero ); + LvArray::forValuesInSlice( vapourCompositionDerivs, setZero ); + + // Check if we are single or 2-phase + if( vapourFraction < MultiFluidConstants::epsilon ) + { + for( integer ic = 0; ic < numComps; ++ic ) + { + liquidCompositionDerivs( ic, Deriv::dC + ic ) = 1.0; + vapourCompositionDerivs( ic, Deriv::dC + ic ) = 1.0; + } + } + else if( 1.0 - vapourFraction < MultiFluidConstants::epsilon ) + { + for( integer ic = 0; ic < numComps; ++ic ) + { + liquidCompositionDerivs( ic, Deriv::dC + ic ) = 1.0; + vapourCompositionDerivs( ic, Deriv::dC + ic ) = 1.0; + } + } + else + { + // Calculate the liquid and vapour fugacities and derivatives + stackArray1d< real64, maxNumComps > logLiquidFugacity( numComps ); + stackArray1d< real64, maxNumComps > logVapourFugacity( numComps ); + stackArray2d< real64, maxNumComps * maxNumDofs > logLiquidFugacityDerivs( numComps, numDofs ); + stackArray2d< real64, maxNumComps * maxNumDofs > logVapourFugacityDerivs( numComps, numDofs ); - // Compute the phase fugacities EOS_TYPE_LIQUID::computeLogFugacityCoefficients( numComps, pressure, temperature, liquidComposition, componentProperties, logLiquidFugacity ); + EOS_TYPE_LIQUID::computeLogFugacityCoefficients( numComps, + pressure, + temperature, + liquidComposition, + componentProperties, + logLiquidFugacity, + logLiquidFugacityDerivs ); EOS_TYPE_VAPOUR::computeLogFugacityCoefficients( numComps, pressure, temperature, vapourComposition, componentProperties, logVapourFugacity ); + EOS_TYPE_VAPOUR::computeLogFugacityCoefficients( numComps, + pressure, + temperature, + vapourComposition, + componentProperties, + logVapourFugacity, + logVapourFugacityDerivs ); - // Compute fugacity ratios and check convergence - converged = true; + constexpr integer maxNumVals = 2*MultiFluidConstants::MAX_NUM_COMPONENTS+1; + integer const numVals = 2*numComps; + stackArray1d< real64, maxNumVals > b( numVals + 1 ); + stackArray1d< real64, maxNumVals > x( numVals + 1 ); + stackArray2d< real64, maxNumVals * maxNumVals > A( numVals + 1, numVals + 1 ); - for( integer const ic : presentComponentIds ) + LvArray::forValuesInSlice( A.toSlice(), setZero ); + LvArray::forValuesInSlice( b.toSlice(), setZero ); + + for( integer ic = 0; ic < numComps; ++ic ) { - fugacityRatios[ic] = exp( logLiquidFugacity[ic] - logVapourFugacity[ic] ) * liquidComposition[ic] / vapourComposition[ic]; - if( MultiFluidConstants::fugacityTolerance < fabs( fugacityRatios[ic] - 1.0 ) ) + integer const xi = ic; + integer const yi = ic + numComps; + integer const vi = numVals; + + integer e = ic; + A( e, xi ) = 1.0 - vapourFraction; + A( e, yi ) = vapourFraction; + A( e, vi ) = vapourComposition[ic] - liquidComposition[ic]; + + e = ic + numComps; + real64 const phiL = exp( logLiquidFugacity( ic ) ); + real64 const phiV = exp( logVapourFugacity( ic ) ); + for( integer jc = 0; jc < numComps; ++jc ) { - converged = false; + integer const xj = jc; + integer const yj = jc + numComps; + real64 const dPhiLdx = logLiquidFugacityDerivs( ic, Deriv::dC+jc ); + real64 const dPhiVdy = logVapourFugacityDerivs( ic, Deriv::dC+jc ); + A( e, xj ) = liquidComposition[ic] * phiL * dPhiLdx; + A( e, yj ) = -vapourComposition[ic] * phiV * dPhiVdy; } - } + A( e, xi ) += phiL; + A( e, yi ) -= phiV; - if( converged ) - { - break; + e = numVals; + A( e, xi ) = -1.0; + A( e, yi ) = 1.0; } - - // Update K-values - for( integer const ic : presentComponentIds ) + // Pressure and temperature derivatives + for( integer const pc : {Deriv::dP, Deriv::dT} ) { - kVapourLiquid[ic] *= fugacityRatios[ic]; + for( integer ic = 0; ic < numComps; ++ic ) + { + real64 const phiL = exp( logLiquidFugacity( ic ) ); + real64 const phiV = exp( logVapourFugacity( ic ) ); + b( ic ) = 0.0; + b( ic + numComps ) = -liquidComposition[ic] * phiL * logLiquidFugacityDerivs( ic, pc ) + + vapourComposition[ic] * phiV * logVapourFugacityDerivs( ic, pc ); + } + b( numVals ) = 0.0; + solveLinearSystem( A, b, x ); + for( integer ic = 0; ic < numComps; ++ic ) + { + liquidCompositionDerivs( ic, pc ) = x( ic ); + vapourCompositionDerivs( ic, pc ) = x( ic + numComps ); + } + vapourFractionDerivs( pc ) = x( numVals ); } - } - - // Retrieve physical bounds from negative flash values - if( vapourPhaseMoleFraction <= 0.0 ) - { - vapourPhaseMoleFraction = 0.0; - for( integer ic = 0; ic < numComps; ++ic ) + // Composition derivatives + for( integer kc = 0; kc < numComps; ++kc ) { - liquidComposition[ic] = composition[ic]; + integer const pc = Deriv::dC + kc; + + for( integer ic = 0; ic < numComps; ++ic ) + { + b( ic ) = -composition[ic]; + b( ic + numComps ) = 0.0; + } + b( kc ) += 1.0; + b( numVals ) = 0.0; + solveLinearSystem( A, b, x ); + for( integer ic = 0; ic < numComps; ++ic ) + { + liquidCompositionDerivs( ic, pc ) = x( ic ); + vapourCompositionDerivs( ic, pc ) = x( ic + numComps ); + } + vapourFractionDerivs( pc ) = x( numVals ); } } - else if( 1.0 <= vapourPhaseMoleFraction ) + } + +private: + /** + * @brief Calculate which components are present. + * @details Creates a list of indices whose components have non-zero mole fraction. + * @param[in] numComps number of components + * @param[in] composition the composition of the fluid + * @param[out] presentComponents the list of present components + * @return the number of present components + */ + template< typename ARRAY > + GEOS_HOST_DEVICE + GEOS_FORCE_INLINE + static integer calculatePresentComponents( integer const numComps, + arraySlice1d< real64 const > const & composition, + ARRAY & presentComponents ) + { + // Check for machine-zero feed values + integer presentCount = 0; + for( integer ic = 0; ic < numComps; ++ic ) { - vapourPhaseMoleFraction = 1.0; - for( integer ic = 0; ic < numComps; ++ic ) + if( MultiFluidConstants::epsilon < composition[ic] ) { - vapourComposition[ic] = composition[ic]; + presentComponents[presentCount++] = ic; } } - - return converged; + presentComponents.resize( presentCount ); + return presentCount; } -private: /** * @brief Normalise a composition in place to ensure that the components add up to unity * @param[in] numComps number of components * @param[in/out] composition composition to be normalized * @return the sum of the given values */ + template< integer USD > GEOS_HOST_DEVICE GEOS_FORCE_INLINE static real64 normalizeComposition( integer const numComps, - arraySlice1d< real64 > const composition ) + arraySlice1d< real64, USD > const & composition ) { real64 totalMoles = 0.0; for( integer ic = 0; ic < numComps; ++ic ) @@ -190,6 +427,77 @@ struct NegativeTwoPhaseFlash } return totalMoles; } + + /** + * @brief Calculate the logarithms of the fugacity ratios + * @param[in] numComps number of components + * @param[in] composition composition to be normalized + */ + template< typename EOS_TYPE_LIQUID, typename EOS_TYPE_VAPOUR, integer USD > + GEOS_HOST_DEVICE + static real64 computeFugacityRatio( + integer const numComps, + real64 const pressure, + real64 const temperature, + arraySlice1d< real64 const > const & composition, + ComponentProperties::KernelWrapper const & componentProperties, + arraySlice1d< real64 const, USD > const & kValues, + arraySlice1d< integer const > const & presentComponents, + real64 & vapourPhaseMoleFraction, + arraySlice1d< real64, USD > const & liquidComposition, + arraySlice1d< real64, USD > const & vapourComposition, + arraySlice1d< real64 > const & logLiquidFugacity, + arraySlice1d< real64 > const & logVapourFugacity, + arraySlice1d< real64 > const & fugacityRatios ) + { + // Solve Rachford-Rice Equation + vapourPhaseMoleFraction = RachfordRice::solve( kValues, composition, presentComponents ); + + // Assign phase compositions + for( integer const ic : presentComponents ) + { + liquidComposition[ic] = composition[ic] / ( 1.0 + vapourPhaseMoleFraction * ( kValues[ic] - 1.0 ) ); + vapourComposition[ic] = kValues[ic] * liquidComposition[ic]; + } + normalizeComposition( numComps, liquidComposition ); + normalizeComposition( numComps, vapourComposition ); + + // Compute the phase fugacities + EOS_TYPE_LIQUID::computeLogFugacityCoefficients( numComps, + pressure, + temperature, + liquidComposition.toSliceConst(), + componentProperties, + logLiquidFugacity ); + EOS_TYPE_VAPOUR::computeLogFugacityCoefficients( numComps, + pressure, + temperature, + vapourComposition.toSliceConst(), + componentProperties, + logVapourFugacity ); + + // Compute fugacity ratios and calculate the error + real64 error = 0.0; + for( integer const ic : presentComponents ) + { + fugacityRatios[ic] = ( logLiquidFugacity[ic] - logVapourFugacity[ic] ) + log( liquidComposition[ic] ) - log( vapourComposition[ic] ); + error += (fugacityRatios[ic]*fugacityRatios[ic]); + } + return LvArray::math::sqrt( error ); + } + + GEOS_HOST_DEVICE + static bool solveLinearSystem( arraySlice2d< real64 const > const & A, + arraySlice1d< real64 const > const & b, + arraySlice1d< real64 > const & x ) + { +#if defined(GEOS_DEVICE_COMPILE) + return false; +#else + BlasLapackLA::solveLinearSystem( A, b, x ); + return true; +#endif + } }; } // namespace compositional diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/RachfordRice.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/RachfordRice.hpp index af7c05bb428..e166ad1157b 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/RachfordRice.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/functions/RachfordRice.hpp @@ -21,6 +21,7 @@ #include "common/DataTypes.hpp" #include "constitutive/fluid/multifluid/MultiFluidConstants.hpp" +#include "constitutive/fluid/multifluid/Layouts.hpp" namespace geos { @@ -44,36 +45,24 @@ struct RachfordRice /** * @brief Function solving the Rachford-Rice equation - * @input[in] kValues the array fo K-values + * @input[in] kValues the array of K-values * @input[in] feed the component fractions * @input[in] presentComponentIds the indices of components with a non-zero fractions * @return the gas mole fraction **/ + template< integer USD1, integer USD2 > GEOS_HOST_DEVICE real64 static - solve( arraySlice1d< real64 const > const kValues, - arraySlice1d< real64 const > const feed, - arraySlice1d< integer const > const presentComponentIds ) + solve( arraySlice1d< real64 const, USD2 > const & kValues, + arraySlice1d< real64 const, USD1 > const & feed, + arraySlice1d< integer const > const & presentComponentIds ) { real64 gasPhaseMoleFraction = 0; // min and max Kvalues for non-zero composition - real64 maxK = 0.0; - real64 minK = 1 / epsilon; - - for( integer i = 0; i < presentComponentIds.size(); ++i ) - { - integer const ic = presentComponentIds[i]; - if( kValues[ic] > maxK ) - { - maxK = kValues[ic]; - } - if( kValues[ic] < minK ) - { - minK = kValues[ic]; - } - } + real64 minK, maxK; + findKValueRange( kValues, presentComponentIds, minK, maxK ); // check for trivial solutions. // this corresponds to bad Kvalues @@ -179,12 +168,13 @@ struct RachfordRice * @input[in] x the value at which the Rachford-Rice function is evaluated * @return the value of the Rachford-Rice function at x **/ + template< integer USD1, integer USD2 > GEOS_HOST_DEVICE real64 static - evaluate( arraySlice1d< real64 const > const kValues, - arraySlice1d< real64 const > const feed, - arraySlice1d< integer const > const presentComponentIds, + evaluate( arraySlice1d< real64 const, USD2 > const & kValues, + arraySlice1d< real64 const, USD1 > const & feed, + arraySlice1d< integer const > const & presentComponentIds, real64 const & x ) { real64 value = 0.0; @@ -205,12 +195,13 @@ struct RachfordRice * @input[in] x the value at which the derivative of the Rachford-Rice function is evaluated * @return the value of the derivative of the Rachford-Rice function at x **/ + template< integer USD1, integer USD2 > GEOS_HOST_DEVICE real64 static - evaluateDerivative( arraySlice1d< real64 const > const kValues, - arraySlice1d< real64 const > const feed, - arraySlice1d< integer const > const presentComponentIds, + evaluateDerivative( arraySlice1d< real64 const, USD2 > const & kValues, + arraySlice1d< real64 const, USD1 > const & feed, + arraySlice1d< integer const > const & presentComponentIds, real64 const & x ) { real64 value = 0.0; @@ -224,6 +215,38 @@ struct RachfordRice return value; } + /** + * @brief Calculate the minimum and maximum k-value + * @input[in] kValues the array fo K-values + * @input[in] presentComponentIds the indices of components with a non-zero fractions + * @input[out] minK the minimum k-value for non-zero components + * @input[out] maxK the maximum k-value for non-zero components + **/ + template< integer USD > + GEOS_FORCE_INLINE + GEOS_HOST_DEVICE + void + static + findKValueRange( arraySlice1d< real64 const, USD > const & kValues, + arraySlice1d< integer const > const & presentComponentIds, + real64 & minK, + real64 & maxK ) + { + minK = 1.0 / epsilon; + maxK = 0.0; + for( integer const ic : presentComponentIds ) + { + if( kValues[ic] > maxK ) + { + maxK = kValues[ic]; + } + if( kValues[ic] < minK ) + { + minK = kValues[ic]; + } + } + } + }; } // namespace constitutive diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/ComponentProperties.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/ComponentProperties.hpp index 2dec4ae3c57..db04c2cafc4 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/ComponentProperties.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/ComponentProperties.hpp @@ -64,6 +64,16 @@ class ComponentProperties final */ integer getNumberOfComponents() const { return m_componentNames.size(); } + /** + * Data accessors + */ + arrayView1d< real64 > const & getComponentMolarWeight() const { return m_componentMolarWeight; } + arrayView1d< real64 > const & getComponentCriticalPressure() const { return m_componentCriticalPressure; } + arrayView1d< real64 > const & getComponentCriticalTemperature() const { return m_componentCriticalTemperature; } + arrayView1d< real64 > const & getComponentCriticalVolume() const { return m_componentCriticalVolume; } + arrayView1d< real64 > const & getComponentAcentricFactor() const { return m_componentAcentricFactor; } + arrayView1d< real64 > const & getComponentVolumeShift() const { return m_componentVolumeShift; } + struct KernelWrapper { KernelWrapper( arrayView1d< real64 const > const & componentMolarWeight, diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/CompositionalDensity.cpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/CompositionalDensity.cpp index 50a35083871..da9ec1e02cc 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/CompositionalDensity.cpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/CompositionalDensity.cpp @@ -25,20 +25,7 @@ namespace constitutive { namespace compositional -{ - -CompositionalDensity::CompositionalDensity( string const & name, - ComponentProperties const & componentProperties ): - FunctionBase( name, componentProperties ) -{} - -CompositionalDensity::KernelWrapper -CompositionalDensity::createKernelWrapper() const -{ - return KernelWrapper(); -} - -} // namespace PVTProps +{} // namespace compositional } // namespace constitutive diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/CompositionalDensity.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/CompositionalDensity.hpp index 9a7fcf557a1..ea0a9b27319 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/CompositionalDensity.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/CompositionalDensity.hpp @@ -22,6 +22,8 @@ #include "FunctionBase.hpp" #include "constitutive/fluid/multifluid/MultiFluidUtils.hpp" +#include "constitutive/fluid/multifluid/MultiFluidConstants.hpp" +#include "constitutive/fluid/multifluid/compositional/functions/CompositionalProperties.hpp" namespace geos { @@ -32,40 +34,43 @@ namespace constitutive namespace compositional { +template< typename EOS_TYPE > class CompositionalDensityUpdate final : public FunctionBaseUpdate { public: - CompositionalDensityUpdate() = default; + explicit CompositionalDensityUpdate( arrayView1d< real64 const > const & volumeShift ) + : m_componentDimensionalVolumeShift( volumeShift ) + {} - template< int USD1 > + template< integer USD1, integer USD2 > GEOS_HOST_DEVICE void compute( ComponentProperties::KernelWrapper const & componentProperties, real64 const & pressure, real64 const & temperature, arraySlice1d< real64 const, USD1 > const & phaseComposition, real64 & molarDensity, + arraySlice1d< real64, USD2 > const & dMolarDensity, real64 & massDensity, + arraySlice1d< real64, USD2 > const & dMassDensity, bool useMass ) const; - template< int USD1, int USD2, int USD3 > - GEOS_HOST_DEVICE - void compute( ComponentProperties::KernelWrapper const & componentProperties, - real64 const & pressure, - real64 const & temperature, - arraySlice1d< real64 const, USD1 > const & phaseComposition, - arraySlice2d< real64 const, USD2 > const & dPhaseComposition, - real64 & molarDensity, - arraySlice1d< real64, USD3 > const & dMolarDensity, - real64 & massDensity, - arraySlice1d< real64, USD3 > const & dMassDensity, - bool useMass ) const; +private: + arrayView1d< real64 const > m_componentDimensionalVolumeShift; }; +template< typename EOS_TYPE > class CompositionalDensity : public FunctionBase { public: CompositionalDensity( string const & name, - ComponentProperties const & componentProperties ); + ComponentProperties const & componentProperties ) + : FunctionBase( name, componentProperties ) + { + // Calculate the dimensional volume shift + m_componentDimensionalVolumeShift.resize( componentProperties.getNumberOfComponents()); + EOS_TYPE::calculateDimensionalVolumeShift( componentProperties, + m_componentDimensionalVolumeShift ); + } static string catalogName() { return "CompositionalDensity"; } @@ -75,53 +80,68 @@ class CompositionalDensity : public FunctionBase } /// Type of kernel wrapper for in-kernel update - using KernelWrapper = CompositionalDensityUpdate; + using KernelWrapper = CompositionalDensityUpdate< EOS_TYPE >; /** * @brief Create an update kernel wrapper. * @return the wrapper */ - KernelWrapper createKernelWrapper() const; -}; - -template< int USD1 > -GEOS_HOST_DEVICE -void CompositionalDensityUpdate::compute( ComponentProperties::KernelWrapper const & componentProperties, - real64 const & pressure, - real64 const & temperature, - arraySlice1d< real64 const, USD1 > const & phaseComposition, - real64 & molarDensity, - real64 & massDensity, - bool useMass ) const -{ - GEOS_UNUSED_VAR( componentProperties, pressure, temperature, useMass ); - GEOS_UNUSED_VAR( phaseComposition ); + KernelWrapper createKernelWrapper() const + { + return KernelWrapper( m_componentDimensionalVolumeShift ); + } - massDensity = 1000.0; - molarDensity = massDensity/40.0; -} +private: + array1d< real64 > m_componentDimensionalVolumeShift; +}; -template< int USD1, int USD2, int USD3 > +template< typename EOS_TYPE > +template< integer USD1, integer USD2 > GEOS_HOST_DEVICE -void CompositionalDensityUpdate::compute( ComponentProperties::KernelWrapper const & componentProperties, - real64 const & pressure, - real64 const & temperature, - arraySlice1d< real64 const, USD1 > const & phaseComposition, - arraySlice2d< real64 const, USD2 > const & dPhaseComposition, - real64 & molarDensity, - arraySlice1d< real64, USD3 > const & dMolarDensity, - real64 & massDensity, - arraySlice1d< real64, USD3 > const & dMassDensity, - bool useMass ) const +void CompositionalDensityUpdate< EOS_TYPE >:: +compute( ComponentProperties::KernelWrapper const & componentProperties, + real64 const & pressure, + real64 const & temperature, + arraySlice1d< real64 const, USD1 > const & phaseComposition, + real64 & molarDensity, + arraySlice1d< real64, USD2 > const & dMolarDensity, + real64 & massDensity, + arraySlice1d< real64, USD2 > const & dMassDensity, + bool useMass ) const { - GEOS_UNUSED_VAR( componentProperties, pressure, temperature, useMass ); - GEOS_UNUSED_VAR( phaseComposition, dPhaseComposition ); - - massDensity = 1000.0; - molarDensity = massDensity/40.0; - - LvArray::forValuesInSlice( dMolarDensity, setZero ); - LvArray::forValuesInSlice( dMassDensity, setZero ); + GEOS_UNUSED_VAR( useMass ); + + integer const numComps = componentProperties.m_componentMolarWeight.size(); + integer const numDofs = 2 + numComps; + + real64 compressibilityFactor = 0.0; + stackArray1d< real64, 2+MultiFluidConstants::MAX_NUM_COMPONENTS > tempDerivs( numDofs ); + + EOS_TYPE::computeCompressibilityFactor( numComps, + pressure, + temperature, + phaseComposition, + componentProperties, + compressibilityFactor, + tempDerivs.toSlice() ); + + CompositionalProperties::computeMolarDensity( numComps, + pressure, + temperature, + phaseComposition, + m_componentDimensionalVolumeShift.toSliceConst(), + compressibilityFactor, + tempDerivs.toSlice(), + molarDensity, + dMolarDensity ); + + CompositionalProperties::computeMassDensity( numComps, + phaseComposition, + componentProperties.m_componentMolarWeight.toSliceConst(), + molarDensity, + dMolarDensity.toSliceConst(), + massDensity, + dMassDensity ); } } // end namespace compositional diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/ConstantViscosity.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/ConstantViscosity.hpp index 45a38d28a11..83948f00cbb 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/ConstantViscosity.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/ConstantViscosity.hpp @@ -35,27 +35,16 @@ class ConstantViscosityUpdate final : public FunctionBaseUpdate public: ConstantViscosityUpdate() = default; - template< int USD1 > + template< integer USD1, integer USD2 > GEOS_HOST_DEVICE void compute( ComponentProperties::KernelWrapper const & componentProperties, real64 const & pressure, real64 const & temperature, arraySlice1d< real64 const, USD1 > const & phaseComposition, real64 const & density, + arraySlice1d< real64 const, USD2 > const & dDensity, real64 & viscosity, - bool useMass ) const; - - template< int USD1, int USD2, int USD3 > - GEOS_HOST_DEVICE - void compute( ComponentProperties::KernelWrapper const & componentProperties, - real64 const & pressure, - real64 const & temperature, - arraySlice1d< real64 const, USD1 > const & phaseComposition, - arraySlice2d< real64 const, USD2 > const & dPhaseComposition, - real64 const & density, - arraySlice1d< real64 const, USD3 > const & dDensity, - real64 & viscosity, - arraySlice1d< real64, USD3 > const & dViscosity, + arraySlice1d< real64, USD2 > const & dViscosity, bool useMass ) const; }; @@ -82,7 +71,7 @@ class ConstantViscosity : public FunctionBase KernelWrapper createKernelWrapper() const; }; -template< int USD1 > +template< integer USD1, integer USD2 > GEOS_HOST_DEVICE GEOS_FORCE_INLINE void ConstantViscosityUpdate::compute( ComponentProperties::KernelWrapper const & componentProperties, @@ -90,32 +79,13 @@ void ConstantViscosityUpdate::compute( ComponentProperties::KernelWrapper const real64 const & temperature, arraySlice1d< real64 const, USD1 > const & phaseComposition, real64 const & density, + arraySlice1d< real64 const, USD2 > const & dDensity, real64 & viscosity, + arraySlice1d< real64, USD2 > const & dViscosity, bool useMass ) const { GEOS_UNUSED_VAR( componentProperties, pressure, temperature, useMass ); GEOS_UNUSED_VAR( phaseComposition ); - GEOS_UNUSED_VAR( density ); - - viscosity = 0.001; -} - -template< int USD1, int USD2, int USD3 > -GEOS_HOST_DEVICE -GEOS_FORCE_INLINE -void ConstantViscosityUpdate::compute( ComponentProperties::KernelWrapper const & componentProperties, - real64 const & pressure, - real64 const & temperature, - arraySlice1d< real64 const, USD1 > const & phaseComposition, - arraySlice2d< real64 const, USD2 > const & dPhaseComposition, - real64 const & density, - arraySlice1d< real64 const, USD3 > const & dDensity, - real64 & viscosity, - arraySlice1d< real64, USD3 > const & dViscosity, - bool useMass ) const -{ - GEOS_UNUSED_VAR( componentProperties, pressure, temperature, useMass ); - GEOS_UNUSED_VAR( phaseComposition, dPhaseComposition ); GEOS_UNUSED_VAR( density, dDensity ); viscosity = 0.001; diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/LohrenzBrayClarkViscosity.cpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/LohrenzBrayClarkViscosity.cpp new file mode 100644 index 00000000000..e9b3f1b4043 --- /dev/null +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/LohrenzBrayClarkViscosity.cpp @@ -0,0 +1,51 @@ +/* + * ------------------------------------------------------------------------------------------------------------ + * SPDX-License-Identifier: LGPL-2.1-only + * + * Copyright (c) 2018-2020 Lawrence Livermore National Security LLC + * Copyright (c) 2018-2020 The Board of Trustees of the Leland Stanford Junior University + * Copyright (c) 2018-2020 TotalEnergies + * Copyright (c) 2019- GEOSX Contributors + * All rights reserved + * + * See top level LICENSE, COPYRIGHT, CONTRIBUTORS, NOTICE, and ACKNOWLEDGEMENTS files for details. + * ------------------------------------------------------------------------------------------------------------ + */ + +/** + * @file LohrenzBrayClarkViscosity.cpp + */ + +#include "LohrenzBrayClarkViscosity.hpp" +#include "constitutive/fluid/multifluid/Layouts.hpp" +#include "constitutive/fluid/multifluid/MultiFluidConstants.hpp" + +namespace geos +{ + +namespace constitutive +{ + +namespace compositional +{ + +LohrenzBrayClarkViscosityUpdate::LohrenzBrayClarkViscosityUpdate( MixingType const mixing_type ) + : m_mixing_type( mixing_type ) +{} + +LohrenzBrayClarkViscosity::LohrenzBrayClarkViscosity( string const & name, + ComponentProperties const & componentProperties ): + FunctionBase( name, componentProperties ) +{} + +LohrenzBrayClarkViscosity::KernelWrapper +LohrenzBrayClarkViscosity::createKernelWrapper() const +{ + return KernelWrapper( m_mixing_type ); +} + +} // end namespace compositional + +} // namespace constitutive + +} // end namespace geos diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/LohrenzBrayClarkViscosity.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/LohrenzBrayClarkViscosity.hpp new file mode 100644 index 00000000000..647fa663e15 --- /dev/null +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/LohrenzBrayClarkViscosity.hpp @@ -0,0 +1,304 @@ +/* + * ------------------------------------------------------------------------------------------------------------ + * SPDX-License-Identifier: LGPL-2.1-only + * + * Copyright (c) 2018-2020 Lawrence Livermore National Security LLC + * Copyright (c) 2018-2020 The Board of Trustees of the Leland Stanford Junior University + * Copyright (c) 2018-2020 TotalEnergies + * Copyright (c) 2019- GEOSX Contributors + * All rights reserved + * + * See top level LICENSE, COPYRIGHT, CONTRIBUTORS, NOTICE, and ACKNOWLEDGEMENTS files for details. + * ------------------------------------------------------------------------------------------------------------ + */ + +/** + * @file LohrenzBrayClarkViscosity.hpp + */ + +#ifndef GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_COMPOSITIONAL_MODELS_LOHRENZBRAYCLARKVISCOSITY_HPP_ +#define GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_COMPOSITIONAL_MODELS_LOHRENZBRAYCLARKVISCOSITY_HPP_ + +#include "FunctionBase.hpp" +#include "codingUtilities/EnumStrings.hpp" + +namespace geos +{ + +namespace constitutive +{ + +namespace compositional +{ + +class LohrenzBrayClarkViscosityUpdate final : public FunctionBaseUpdate +{ +public: +/** + * @brief Mixing types for phase viscosity + */ + enum class MixingType : integer + { + HERNING_ZIPPERER, + WILKE, + BROKAW + }; + +public: + explicit LohrenzBrayClarkViscosityUpdate( MixingType const mixing_type ); + + template< integer USD1, integer USD2 > + GEOS_HOST_DEVICE + void compute( ComponentProperties::KernelWrapper const & componentProperties, + real64 const & pressure, + real64 const & temperature, + arraySlice1d< real64 const, USD1 > const & phaseComposition, + real64 const & density, + arraySlice1d< real64 const, USD2 > const & dDensity, + real64 & viscosity, + arraySlice1d< real64, USD2 > const & dViscosity, + bool useMass ) const; + + GEOS_HOST_DEVICE + void setMixingType( MixingType const mixing_type ) + { + m_mixing_type = mixing_type; + } + +private: + /** + * @brief Estimate pure component properties at dilute-gas conditions + * @details This estimates pure component properties at dilute-gas conditions (pressure near atmospheric) using + * Stiel and Thodos [1961] correlation: https://doi.org/10.1002/aic.690070416 + * Dilute viscosity is solely temperature dependent + * Units are converted so componentViscosity is in centipoise to match original reference + * @param[in] numComponents The number of components + * @param[in] componentProperties Physical properties of the components + * @param[in] temperature The temperature + * @param[out] componentDiluteViscosity The compoment dilute viscosity + * @param[out] dComponentDiluteViscosity_dTemperature The derivatives of compoment dilute viscosity w.r.t. temperature + */ + GEOS_HOST_DEVICE + void computeComponentDiluteViscosity_StielThodos( integer const numComponents, + ComponentProperties::KernelWrapper const & componentProperties, + real64 const temperature, + arraySlice1d< real64 > const componentDiluteViscosity, + arraySlice1d< real64 > const dComponentDiluteViscosity_dTemperature ) const + { + for( integer ic = 0; ic < numComponents; ++ic ) + { + real64 const criticalPressure = componentProperties.m_componentCriticalPressure[ic]; + real64 const criticalTemperature = componentProperties.m_componentCriticalTemperature[ic]; + real64 const molarWeight = componentProperties.m_componentMolarWeight[ic]; + + real64 reducedTemperature = temperature / criticalTemperature; + real64 inverseComponentChi = 0.0; + real64 discardDerivative = 0.0; + inverseChiParameter( criticalPressure, criticalTemperature, molarWeight, inverseComponentChi, + discardDerivative, discardDerivative, discardDerivative ); + + if( molarWeight < 2.1e-3 ) // hydrogen correlation, Stiel & Thodos, 1961, Eq. 12 + { + componentDiluteViscosity[ic] = 90.71e-5 * pow( 0.1375*temperature - 1.67, 0.625 ); + dComponentDiluteViscosity_dTemperature[ic] = 90.71e-5 * 0.625 * 0.1375 * pow( 0.1375*temperature - 1.67, -0.375 ); + } + else if( reducedTemperature <= 1.5 ) // nonpolar gas correlation at low temp, Eq. 9 + { + componentDiluteViscosity[ic] = 34e-5 * pow( reducedTemperature, 0.94 ) * inverseComponentChi; + dComponentDiluteViscosity_dTemperature[ic] = 34e-5 * 0.94 * pow( reducedTemperature, -0.06 ) * inverseComponentChi / criticalTemperature; + } + else // nonpolar gas correlation at high temp, Eq. 10 + { + componentDiluteViscosity[ic] = 17.78e-5 * pow( 4.58*reducedTemperature-1.67, 0.625 ) * inverseComponentChi; + dComponentDiluteViscosity_dTemperature[ic] = 17.78e-5 * 4.58 * 0.625 * pow( 4.58*reducedTemperature-1.67, -0.375 ) * inverseComponentChi / criticalTemperature; + } + } + } + + /** + * @brief Estimate phase viscosity at dilute-gas conditions using Herning and Zipperer [1936] + * @details This estimates the phase viscosity properties at dilute-gas conditions (pressure near atmospheric) using + * Herning and Zipperer [1936] mixing rule. + * Herning, F. and Zipperer, L,: “Calculation of the Viscosity of Technical Gas Mixtures from the + * Viscosity of Individual Gases, german”, Gas u. Wasserfach (1936) 79, No. 49, 69. + * @param[in] numComponents The number of components + * @param[in] componentProperties Physical properties of the components + * @param[in] temperature The temperature + * @param[in] phaseComposition The composition of the phase + * @param[in] componentDiluteViscosity The compoment dilute viscosity + * @param[in] dComponentDiluteViscosity_dTemperature The derivatives of compoment dilute viscosity w.r.t. temperature + * @param[out] phaseViscosity The phase viscosity + * @param[out] dPhaseViscosity The phase viscosity derivatives + */ + template< integer USD1, integer USD2 > + GEOS_HOST_DEVICE + void computePhaseDiluteViscosity_HerningZipperer( integer const numComponents, + ComponentProperties::KernelWrapper const & componentProperties, + real64 const temperature, + arraySlice1d< real64 const, USD1 > const & phaseComposition, + arraySlice1d< real64 const > const & componentDiluteViscosity, + arraySlice1d< real64 const > const & dComponentDiluteViscosity_dTemperature, + real64 & phaseViscosity, + arraySlice1d< real64, USD2 > const & dPhaseViscosity ) const; + + /** + * @brief Estimate phase viscosity at dilute-gas conditions using Wilke [1950] + * @details This estimates the phase viscosity properties at dilute-gas conditions (pressure near atmospheric) using + * Wilke [1950] mixing rule. https://doi.org/10.1063/1.1747673 + * @param[in] numComponents The number of components + * @param[in] componentProperties Physical properties of the components + * @param[in] temperature The temperature + * @param[in] phaseComposition The composition of the phase + * @param[in] componentDiluteViscosity The compoment dilute viscosity + * @param[in] dComponentDiluteViscosity_dTemperature The derivatives of compoment dilute viscosity w.r.t. temperature + * @param[out] phaseViscosity The phase viscosity + * @param[out] dPhaseViscosity The phase viscosity derivatives + */ + template< integer USD1, integer USD2 > + GEOS_HOST_DEVICE + void computePhaseDiluteViscosity_Wilke( integer const numComponents, + ComponentProperties::KernelWrapper const & componentProperties, + real64 const temperature, + arraySlice1d< real64 const, USD1 > const & phaseComposition, + arraySlice1d< real64 const > const & componentDiluteViscosity, + arraySlice1d< real64 const > const & dComponentDiluteViscosity_dTemperature, + real64 & phaseViscosity, + arraySlice1d< real64, USD2 > const & dPhaseViscosity ) const; + + /** + * @brief Estimate phase viscosity at dilute-gas conditions using Brokaw[1968] + * @details This estimates the phase viscosity properties at dilute-gas conditions (pressure near atmospheric) using + * Brokaw[1968] mixing rule. + * Brokaw, R. S. (1968). Viscosity of Gas Mixtures. United States: National Aeronautics and Space Administration. + * @param[in] numComponents The number of components + * @param[in] componentProperties Physical properties of the components + * @param[in] temperature The temperature + * @param[in] phaseComposition The composition of the phase + * @param[in] componentDiluteViscosity The compoment dilute viscosity + * @param[in] dComponentDiluteViscosity_dTemperature The derivatives of compoment dilute viscosity w.r.t. temperature + * @param[out] phaseViscosity The phase viscosity + * @param[out] dPhaseViscosity The phase viscosity derivatives + */ + template< integer USD1, integer USD2 > + GEOS_HOST_DEVICE + void computePhaseDiluteViscosity_Brokaw( integer const numComponents, + ComponentProperties::KernelWrapper const & componentProperties, + real64 const temperature, + arraySlice1d< real64 const, USD1 > const & phaseComposition, + arraySlice1d< real64 const > const & componentDiluteViscosity, + arraySlice1d< real64 const > const & dComponentDiluteViscosity_dTemperature, + real64 & phaseViscosity, + arraySlice1d< real64, USD2 > const & dPhaseViscosity ) const; + + /** + * @brief Estimates phase viscosity using Lohrenz, Bray & Clark [1964] + * @details This estimates the phase viscosity at given (P,T) conditions using the Lohrenz, Bray & Clark [1964] correlation. + * This is an additional term added to the dilute gas estimate. + * https://doi.org/10.2118/915-PA + * @param[in] numComponents The number of components + * @param[in] componentProperties Physical properties of the components + * @param[in] phaseComposition The composition of the phase + * @param[in] phaseDensity The phase density + * @param[in] dPhaseDensity The derivatives of the phase density + * @param[out] phaseViscosity The phase viscosity + * @param[out] dPhaseViscosity The phase viscosity derivatives + */ + template< integer USD1, integer USD2 > + GEOS_HOST_DEVICE + void computePhaseViscosity_LohrenzBrayClark( integer const numComponents, + ComponentProperties::KernelWrapper const & componentProperties, + arraySlice1d< real64 const, USD1 > const & phaseComposition, + real64 const phaseDensity, + arraySlice1d< real64 const, USD2 > const & dPhaseDensity, + real64 & phaseViscosity, + arraySlice1d< real64, USD2 > const & dPhaseViscosity ) const; + + /** + * @brief Computes inverse chi parameter + * @details Computes "1/chi" parameter (inverse of the viscosity-reducing parameter) from [ST 1961, LBC 1964]. + * Using units of (K, atm, amu). + * @param[in] criticalPressure The component critical pressure + * @param[in] criticalTemperature The component critical temperature + * @param[in] molarWeight The component molar weight + * @param[out] value The inverse chi parameter + * @param[out] derivP Derivative of the inverse chi parameter w.r.t. pressure + * @param[out] derivT Derivative of the inverse chi parameter w.r.t. temperature + * @param[out] derivM Derivative of the inverse chi parameter w.r.t. molar weight + */ + GEOS_HOST_DEVICE + void inverseChiParameter( real64 const criticalPressure, + real64 const criticalTemperature, + real64 const molarWeight, + real64 & value, + real64 & derivP, + real64 & derivT, + real64 & derivM ) const + { + real64 T = pow( criticalTemperature, 1.0/6.0 ); + real64 dT = (1.0/6.0) * pow( criticalTemperature, -5.0/6.0 ); + + real64 constexpr sqrt1000 = 31.6227766017; // note: kg/mol to atomic mass units + real64 M = sqrt1000 * sqrt( molarWeight ); + real64 dM = 0.5 * sqrt1000 / sqrt( molarWeight ); + + real64 P = pow( criticalPressure / PA_TO_ATM, 2.0/3.0 ); // note: pascal to atm conversion + real64 dP = pow( PA_TO_ATM, -2.0/3.0 ) * pow( criticalPressure, -1.0/3.0 ) * 2.0/3.0; + + value = M*P/T; + derivP = M*dP/T; + derivT = -M*P*dT/(T*T); + derivM = dM*P/T; + } + +private: + MixingType m_mixing_type; + +private: + // Conversion factor from cP to Pa.s + static constexpr real64 CP_TO_PAS = 1.0e-3; + // Conversion from Pa to atm + static constexpr real64 PA_TO_ATM = 1.01325e+5; +}; + +class LohrenzBrayClarkViscosity : public FunctionBase +{ +public: + LohrenzBrayClarkViscosity( string const & name, + ComponentProperties const & componentProperties ); + + static string catalogName() { return "LBC"; } + + FunctionType functionType() const override + { + return FunctionType::VISCOSITY; + } + + /// Type of kernel wrapper for in-kernel update + using KernelWrapper = LohrenzBrayClarkViscosityUpdate; + + /** + * @brief Create an update kernel wrapper. + * @return the wrapper + */ + KernelWrapper createKernelWrapper() const; + +private: + LohrenzBrayClarkViscosityUpdate::MixingType m_mixing_type{LohrenzBrayClarkViscosityUpdate::MixingType::HERNING_ZIPPERER}; +}; + +/// Declare strings associated with enumeration values. +ENUM_STRINGS( LohrenzBrayClarkViscosityUpdate::MixingType, + "Herning-Zipperer", + "Wilke", + "Brokaw" ); + +} // end namespace compositional + +} // end namespace constitutive + +} // end namespace geos + +// Implementation +#include "LohrenzBrayClarkViscosityImpl.hpp" + +#endif //GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_COMPOSITIONAL_MODELS_LOHRENZBRAYCLARKVISCOSITY_HPP_ diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/LohrenzBrayClarkViscosityImpl.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/LohrenzBrayClarkViscosityImpl.hpp new file mode 100644 index 00000000000..3811c5950d9 --- /dev/null +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/LohrenzBrayClarkViscosityImpl.hpp @@ -0,0 +1,408 @@ +/* + * ------------------------------------------------------------------------------------------------------------ + * SPDX-License-Identifier: LGPL-2.1-only + * + * Copyright (c) 2018-2020 Lawrence Livermore National Security LLC + * Copyright (c) 2018-2020 The Board of Trustees of the Leland Stanford Junior University + * Copyright (c) 2018-2020 TotalEnergies + * Copyright (c) 2019- GEOSX Contributors + * All rights reserved + * + * See top level LICENSE, COPYRIGHT, CONTRIBUTORS, NOTICE, and ACKNOWLEDGEMENTS files for details. + * ------------------------------------------------------------------------------------------------------------ + */ + +/** + * @file LohrenzBrayClarkViscosityImpl.hpp + */ + +#ifndef GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_COMPOSITIONAL_MODELS_LOHRENZBRAYCLARKVISCOSITYIMPL_HPP_ +#define GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_COMPOSITIONAL_MODELS_LOHRENZBRAYCLARKVISCOSITYIMPL_HPP_ + +#include "LohrenzBrayClarkViscosity.hpp" +#include "constitutive/fluid/multifluid/Layouts.hpp" +#include "constitutive/fluid/multifluid/MultiFluidConstants.hpp" + +namespace geos +{ + +namespace constitutive +{ + +namespace compositional +{ + +template< integer USD1, integer USD2 > +GEOS_HOST_DEVICE +void LohrenzBrayClarkViscosityUpdate::compute( ComponentProperties::KernelWrapper const & componentProperties, + real64 const & pressure, + real64 const & temperature, + arraySlice1d< real64 const, USD1 > const & phaseComposition, + real64 const & density, + arraySlice1d< real64 const, USD2 > const & dDensity, + real64 & viscosity, + arraySlice1d< real64, USD2 > const & dViscosity, + bool useMass ) const +{ + GEOS_UNUSED_VAR( pressure ); // No-direct pressure dependence (instead through density) + GEOS_UNUSED_VAR( useMass ); + + integer constexpr maxNumComps = MultiFluidConstants::MAX_NUM_COMPONENTS; + integer constexpr maxNumDofs = MultiFluidConstants::MAX_NUM_COMPONENTS + 2; + integer const numComponents = componentProperties.m_componentMolarWeight.size(); + integer const numDofs = numComponents + 2; + + // Space for temporary variable derivatives + stackArray1d< real64, maxNumDofs > tempDerivs( numDofs ); + + // Estimate pure component properties at dilute-gas conditions (pressure near atmospheric) using + // Stiel and Thodos [1961] correlation: https://doi.org/10.1002/aic.690070416 + // Dilute viscosity is solely temperature dependent + // Units are converted so componentViscosity is in centipoise to match original reference + + stackArray1d< real64, maxNumComps > componentDiluteViscosity( numComponents ); + + computeComponentDiluteViscosity_StielThodos( numComponents, + componentProperties, + temperature, + componentDiluteViscosity, + tempDerivs ); + + // Estimate phase viscosity (in cp) at dilute gas conditions using either + // the Herning and Zipperer [1936], Wilke [1950], or Brokaw[1968] mixture rule. + // The classic LBC model uses Herning-Zipperer, but the other two may be more accurate. + + if( m_mixing_type == MixingType::HERNING_ZIPPERER ) + { + computePhaseDiluteViscosity_HerningZipperer( numComponents, + componentProperties, + temperature, + phaseComposition, + componentDiluteViscosity, + tempDerivs, + viscosity, + dViscosity ); + } + else if( m_mixing_type == MixingType::WILKE ) + { + computePhaseDiluteViscosity_Wilke( numComponents, + componentProperties, + temperature, + phaseComposition, + componentDiluteViscosity, + tempDerivs, + viscosity, + dViscosity ); + } + else if( m_mixing_type == MixingType::BROKAW ) + { + computePhaseDiluteViscosity_Brokaw( numComponents, + componentProperties, + temperature, + phaseComposition, + componentDiluteViscosity, + tempDerivs, + viscosity, + dViscosity ); + } + + // Estimate phase viscosity at given (P,T) conditions using LBC [1964] correlation. + // This is an additional term added to the dilute gas estimate above. + computePhaseViscosity_LohrenzBrayClark( numComponents, + componentProperties, + phaseComposition, + density, + dDensity, + viscosity, + dViscosity ); + + // Scale centipoise to pascal.seconds + viscosity *= CP_TO_PAS; + for( integer kc = 0; kc < numDofs; ++kc ) + { + dViscosity[kc] *= CP_TO_PAS; + } +} + +template< integer USD1, integer USD2 > +GEOS_HOST_DEVICE +void LohrenzBrayClarkViscosityUpdate::computePhaseDiluteViscosity_HerningZipperer( integer const numComponents, + ComponentProperties::KernelWrapper const & componentProperties, + real64 const temperature, + arraySlice1d< real64 const, USD1 > const & phaseComposition, + arraySlice1d< real64 const > const & componentDiluteViscosity, + arraySlice1d< real64 const > const & dComponentDiluteViscosity_dTemperature, + real64 & phaseViscosity, + arraySlice1d< real64, USD2 > const & dPhaseViscosity ) const +{ + using Deriv = multifluid::DerivativeOffset; + GEOS_UNUSED_VAR( temperature ); + + real64 A = 0.0; + real64 dA_dT = 0.0; + real64 B = 0.0; + + for( integer ic = 0; ic < numComponents; ++ic ) + { + real64 const sqrtMolarWeight = sqrt( componentProperties.m_componentMolarWeight[ic] ); + A += phaseComposition[ic] * sqrtMolarWeight * componentDiluteViscosity[ic]; + B += phaseComposition[ic] * sqrtMolarWeight; + dA_dT += phaseComposition[ic] * sqrtMolarWeight * dComponentDiluteViscosity_dTemperature[ic]; + } + + phaseViscosity = A/B; + dPhaseViscosity[Deriv::dP] = 0.0; + dPhaseViscosity[Deriv::dT] = dA_dT/B; + + for( integer ic = 0; ic < numComponents; ++ic ) + { + real64 const sqrtMolarWeight = sqrt( componentProperties.m_componentMolarWeight[ic] ); + real64 const dA_dxi = sqrtMolarWeight * componentDiluteViscosity[ic]; + real64 const dB_dxi = sqrtMolarWeight; + dPhaseViscosity[Deriv::dC+ic] = dA_dxi / B - A * dB_dxi / (B * B); + } +} + +template< integer USD1, integer USD2 > +GEOS_HOST_DEVICE +void LohrenzBrayClarkViscosityUpdate::computePhaseDiluteViscosity_Wilke( integer const numComponents, + ComponentProperties::KernelWrapper const & componentProperties, + real64 const temperature, + arraySlice1d< real64 const, USD1 > const & phaseComposition, + arraySlice1d< real64 const > const & componentDiluteViscosity, + arraySlice1d< real64 const > const & dComponentDiluteViscosity_dTemperature, + real64 & phaseViscosity, + arraySlice1d< real64, USD2 > const & dPhaseViscosity ) const +{ + using Deriv = multifluid::DerivativeOffset; + GEOS_UNUSED_VAR( temperature ); + + // compute the "phi" interaction matrix (and its temperature derivatives) + integer constexpr maxNumComps = MultiFluidConstants::MAX_NUM_COMPONENTS; + stackArray2d< real64, maxNumComps *maxNumComps > phi( numComponents, numComponents ); + stackArray2d< real64, maxNumComps *maxNumComps > dPhi_dT( numComponents, numComponents ); + + LvArray::forValuesInSlice( phi.toSlice(), setZero ); + LvArray::forValuesInSlice( dPhi_dT.toSlice(), setZero ); + + for( integer ic = 0; ic < numComponents; ++ic ) + { + for( integer jc = 0; jc < numComponents; ++jc ) + { + real64 const mw_i = componentProperties.m_componentMolarWeight[ic]; + real64 const mw_j = componentProperties.m_componentMolarWeight[jc]; + + real64 const weightRatio = mw_i / mw_j; + + real64 const invVisc_j = 1.0 / componentDiluteViscosity[jc]; + real64 const viscosityRatio = componentDiluteViscosity[ic] * invVisc_j; + + real64 const dViscosityRatio_dT = dComponentDiluteViscosity_dTemperature[ic] * invVisc_j + - componentDiluteViscosity[ic] * dComponentDiluteViscosity_dTemperature[jc] * invVisc_j * invVisc_j; + + real64 const A = 1.0 + sqrt( viscosityRatio )*pow( weightRatio, -0.25 ); + real64 const dA_dT = 0.5*pow( weightRatio, -0.25 )/sqrt( viscosityRatio )*dViscosityRatio_dT; + + real64 const B = A*A; + real64 const dB_dT = 2.0*A*dA_dT; + real64 const C = sqrt( 8.0 )*sqrt( 1.0 + weightRatio ); + + phi( ic, jc ) = B/C; + dPhi_dT( ic, jc ) = dB_dT/C; + } + } + + // compute phase viscosity via Wilke mixing rule + + phaseViscosity = 0; + LvArray::forValuesInSlice( dPhaseViscosity, setZero ); + + for( integer ic = 0; ic < numComponents; ++ic ) + { + real64 A = 0; + real64 dA_dT = 0; + + for( integer jc = 0; jc < numComponents; ++jc ) + { + A += phi( ic, jc )*phaseComposition[jc]; + dA_dT += dPhi_dT( ic, jc )*phaseComposition[jc]; + } + + phaseViscosity += phaseComposition[ic] * componentDiluteViscosity[ic] / A; + dPhaseViscosity[Deriv::dT] += phaseComposition[ic] * dComponentDiluteViscosity_dTemperature[ic] / A + - phaseComposition[ic] * componentDiluteViscosity[ic] / (A*A) * dA_dT; + + dPhaseViscosity[Deriv::dC+ic] += componentDiluteViscosity[ic] / A; + + // the following is some tricky loop merging. the derivatives for other components "jc" will depend on the value of A + // computed above for component "ic", so we add these entries for other derivatives immediately. + + for( integer jc = 0; jc < numComponents; ++jc ) + { + dPhaseViscosity[Deriv::dC+jc] -= phaseComposition[ic] * componentDiluteViscosity[ic] / (A*A) * phi( ic, jc ); + } + } +} + +template< integer USD1, integer USD2 > +GEOS_HOST_DEVICE +void LohrenzBrayClarkViscosityUpdate::computePhaseDiluteViscosity_Brokaw( integer const numComponents, + ComponentProperties::KernelWrapper const & componentProperties, + real64 const temperature, + arraySlice1d< real64 const, USD1 > const & phaseComposition, + arraySlice1d< real64 const > const & componentDiluteViscosity, + arraySlice1d< real64 const > const & dComponentDiluteViscosity_dTemperature, + real64 & phaseViscosity, + arraySlice1d< real64, USD2 > const & dPhaseViscosity ) const +{ + using Deriv = multifluid::DerivativeOffset; + GEOS_UNUSED_VAR( temperature ); + + // Compute the "phi" interaction matrix (constant, as only function of molecular weights) + integer constexpr maxNumComps = MultiFluidConstants::MAX_NUM_COMPONENTS; + stackArray2d< real64, maxNumComps *maxNumComps > phi( numComponents, numComponents ); + + LvArray::forValuesInSlice( phi.toSlice(), setZero ); + + for( integer ic = 0; ic < numComponents; ++ic ) + { + for( integer jc = 0; jc < ic; ++jc ) + { + real64 const mw_i = componentProperties.m_componentMolarWeight[ic]; + real64 const mw_j = componentProperties.m_componentMolarWeight[jc]; + real64 const A = mw_i / mw_j; + real64 const B = pow( 4.0*mw_i*mw_j/((mw_i+mw_j)*(mw_i+mw_j)), 0.25 ); + real64 const A45 = pow( A, 0.45 ); + + phi( ic, jc ) = B/sqrt( A ) * (1.0 + (A-A45)/(2.0 + 2.0*A + B*(1+A45) / (1+B))); + phi( jc, ic ) = phi( ic, jc ); + } + phi( ic, ic ) = 1.0; + } + + phaseViscosity = 0.0; + LvArray::forValuesInSlice( dPhaseViscosity, setZero ); + + for( integer ic = 0; ic < numComponents; ++ic ) + { + real64 A = 0; + real64 dA_dT = 0; + + for( integer jc = 0; jc < numComponents; ++jc ) + { + real64 const aij = phi( ic, jc )*phaseComposition[jc] / sqrt( componentDiluteViscosity[jc] ); + A += aij; + dA_dT -= 0.5*aij*dComponentDiluteViscosity_dTemperature[jc] / componentDiluteViscosity[jc]; + } + + real64 const sqrtComponentDiluteViscosity = sqrt( componentDiluteViscosity[ic] ); + phaseViscosity += phaseComposition[ic] * sqrtComponentDiluteViscosity / A; + + dPhaseViscosity[Deriv::dT] += 0.5*phaseComposition[ic] / sqrtComponentDiluteViscosity * dComponentDiluteViscosity_dTemperature[ic] / A + - phaseComposition[ic] * sqrtComponentDiluteViscosity / (A*A) * dA_dT; + + dPhaseViscosity[Deriv::dC+ic] += sqrtComponentDiluteViscosity / A; + + // the following is some tricky loop merging. the derivatives for other components "jc" will depend on the value of A + // computed above for component "ic", so we add these entries for other derivatives immediately. + + for( integer jc = 0; jc < numComponents; ++jc ) + { + dPhaseViscosity[Deriv::dC+jc] -= phaseComposition[ic] * phi( ic, jc ) * sqrt( componentDiluteViscosity[ic]/componentDiluteViscosity[jc] ) / (A*A); + } + } +} + +template< integer USD1, integer USD2 > +GEOS_HOST_DEVICE +void LohrenzBrayClarkViscosityUpdate::computePhaseViscosity_LohrenzBrayClark( integer const numComponents, + ComponentProperties::KernelWrapper const & componentProperties, + arraySlice1d< real64 const, USD1 > const & phaseComposition, + real64 const phaseDensity, + arraySlice1d< real64 const, USD2 > const & dPhaseDensity, + real64 & phaseViscosity, + arraySlice1d< real64, USD2 > const & dPhaseViscosity ) const +{ + using Deriv = multifluid::DerivativeOffset; + // Compute phase pseudo properties via Kay's mixing rule + real64 phaseCriticalPressure = 0.0; + real64 phaseCriticalTemperature = 0.0; + real64 phaseCriticalVolume = 0.0; + real64 phaseMolarWeight = 0.0; + + auto const & criticalPressure = componentProperties.m_componentCriticalPressure; + auto const & criticalTemperature = componentProperties.m_componentCriticalTemperature; + auto const & criticalVolume = componentProperties.m_componentCriticalVolume; + auto const & molarWeight = componentProperties.m_componentMolarWeight; + + for( integer ic = 0; ic < numComponents; ++ic ) + { + phaseCriticalPressure += phaseComposition[ic] * criticalPressure[ic]; + phaseCriticalTemperature += phaseComposition[ic] * criticalTemperature[ic]; + phaseCriticalVolume += phaseComposition[ic] * criticalVolume[ic]; + phaseMolarWeight += phaseComposition[ic] * molarWeight[ic]; + } + + // Compute LBC polynomial + + real64 reducedDensity = phaseDensity * phaseCriticalVolume / phaseMolarWeight; + real64 inversePhaseChi, dInversePhaseChi_dPc, dInversePhaseChi_dTc, dInversePhaseChi_dMw; + + inverseChiParameter( phaseCriticalPressure, + phaseCriticalTemperature, + phaseMolarWeight, + inversePhaseChi, + dInversePhaseChi_dPc, + dInversePhaseChi_dTc, + dInversePhaseChi_dMw ); + + real64 polynomialOne = 0.1023000 + + 0.0233640*reducedDensity + + 0.0585330*pow( reducedDensity, 2 ) + - 0.0407580*pow( reducedDensity, 3 ) + + 0.0093324*pow( reducedDensity, 4 ); + + real64 polynomialTwo = pow( polynomialOne, 4.0 ) - 1.0e-4; + + // add polynomial contribution to dilute term to get final phase viscosity + + phaseViscosity += polynomialTwo * inversePhaseChi; + + // get derivatives, noting phaseDensity is a function of (pressure, temperature, composition) + // and inversePhaseChi is a function of composition. + // these derivatives are *added* to the ones already present from the dilute terms above. + + real64 dPolynomialOne_dReducedDensity = 0.0233640 + + 0.1170660*reducedDensity + - 0.1222740*pow( reducedDensity, 2 ) + + 0.0373296*pow( reducedDensity, 3 ); + real64 dPolynomialTwo_dReducedDensity = 4.0 * pow( polynomialOne, 3.0 ) * dPolynomialOne_dReducedDensity; + + real64 dViscosity_dDensity = dPolynomialTwo_dReducedDensity * inversePhaseChi * phaseCriticalVolume / phaseMolarWeight; + real64 dViscosity_dCriticalRatio = dPolynomialTwo_dReducedDensity * inversePhaseChi * phaseDensity; + + real64 dViscosity_dPc = polynomialTwo * dInversePhaseChi_dPc; + real64 dViscosity_dTc = polynomialTwo * dInversePhaseChi_dTc; + real64 dViscosity_dMw = polynomialTwo * dInversePhaseChi_dMw - dViscosity_dCriticalRatio * phaseCriticalVolume / pow( phaseMolarWeight, 2 ); + real64 dViscosity_dVc = dViscosity_dCriticalRatio / phaseMolarWeight; + + dPhaseViscosity[Deriv::dP] += dViscosity_dDensity * dPhaseDensity[Deriv::dP]; + dPhaseViscosity[Deriv::dT] += dViscosity_dDensity * dPhaseDensity[Deriv::dT]; + + for( integer ic = 0; ic < numComponents; ++ic ) + { + dPhaseViscosity[Deriv::dC+ic] += dViscosity_dDensity * dPhaseDensity[Deriv::dC+ic] + + dViscosity_dPc * criticalPressure[ic] + + dViscosity_dTc * criticalTemperature[ic] + + dViscosity_dMw * molarWeight[ic] + + dViscosity_dVc * criticalVolume[ic]; + } +} + +} // end namespace compositional + +} // namespace constitutive + +} // end namespace geos + +#endif //GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_COMPOSITIONAL_MODELS_LOHRENZBRAYCLARKVISCOSITYIMPL_HPP_ diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.cpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.cpp index 48048202020..836694ac9fb 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.cpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.cpp @@ -45,13 +45,17 @@ template< typename EOS_TYPE_LIQUID, typename EOS_TYPE_VAPOUR > typename NegativeTwoPhaseFlashModel< EOS_TYPE_LIQUID, EOS_TYPE_VAPOUR >::KernelWrapper NegativeTwoPhaseFlashModel< EOS_TYPE_LIQUID, EOS_TYPE_VAPOUR >::createKernelWrapper() const { - return KernelWrapper( m_componentProperties.getNumberOfComponents() ); + return KernelWrapper( m_componentProperties.getNumberOfComponents(), 0, 1 ); } template< typename EOS_TYPE_LIQUID, typename EOS_TYPE_VAPOUR > NegativeTwoPhaseFlashModelUpdate< EOS_TYPE_LIQUID, EOS_TYPE_VAPOUR >:: -NegativeTwoPhaseFlashModelUpdate( integer const numComponents ): - m_numComponents( numComponents ) +NegativeTwoPhaseFlashModelUpdate( integer const numComponents, + integer const liquidIndex, + integer const vapourIndex ): + m_numComponents( numComponents ), + m_liquidIndex( liquidIndex ), + m_vapourIndex( vapourIndex ) {} // Explicit instantiation of the model template. diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.hpp index e9d6d17ef6c..d9a50bb0f9c 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/NegativeTwoPhaseFlashModel.hpp @@ -24,6 +24,7 @@ #include "constitutive/fluid/multifluid/Layouts.hpp" #include "constitutive/fluid/multifluid/MultiFluidUtils.hpp" #include "constitutive/fluid/multifluid/compositional/functions/CubicEOSPhaseModel.hpp" +#include "constitutive/fluid/multifluid/compositional/functions/NegativeTwoPhaseFlash.hpp" namespace geos { @@ -42,54 +43,61 @@ class NegativeTwoPhaseFlashModelUpdate final : public FunctionBaseUpdate using PhaseProp = MultiFluidVar< real64, 3, multifluid::LAYOUT_PHASE, multifluid::LAYOUT_PHASE_DC >; using PhaseComp = MultiFluidVar< real64, 4, multifluid::LAYOUT_PHASE_COMP, multifluid::LAYOUT_PHASE_COMP_DC >; - explicit NegativeTwoPhaseFlashModelUpdate( integer const numComponents ); + NegativeTwoPhaseFlashModelUpdate( integer const numComponents, + integer const liquidIndex, + integer const vapourIndex ); // Mark as a 2-phase flash GEOS_HOST_DEVICE static constexpr integer getNumberOfPhases() { return 2; } - template< int USD1, int USD2, int USD3 > - GEOS_HOST_DEVICE - void compute( ComponentProperties::KernelWrapper const & componentProperties, - real64 const & pressure, - real64 const & temperature, - arraySlice1d< real64 const, USD1 > const & compFraction, - arraySlice1d< real64, USD2 > const & phaseFraction, - arraySlice2d< real64, USD3 > const & phaseCompFraction ) const - { - GEOS_UNUSED_VAR( componentProperties, pressure, temperature ); - // TODO: Constant values for now. To be linked with the static function call - phaseFraction[m_liquidIndex] = 0.5; - phaseFraction[m_vapourIndex] = 0.5; - for( integer ic = 0; ic < m_numComponents; ++ic ) - { - phaseCompFraction[m_liquidIndex][ic] = compFraction[ic]; - phaseCompFraction[m_vapourIndex][ic] = compFraction[ic]; - } - } - - template< int USD1 > + template< int USD1, int USD2 > GEOS_HOST_DEVICE void compute( ComponentProperties::KernelWrapper const & componentProperties, real64 const & pressure, real64 const & temperature, arraySlice1d< real64 const, USD1 > const & compFraction, + arraySlice2d< real64, USD2 > const & kValues, PhaseProp::SliceType const phaseFraction, PhaseComp::SliceType const phaseCompFraction ) const { - GEOS_UNUSED_VAR( componentProperties, pressure, temperature ); - - // TODO: Constant values for now. To be linked with the static function call - phaseFraction.value[m_liquidIndex] = 0.5; - phaseFraction.value[m_vapourIndex] = 0.5; - for( integer ic = 0; ic < m_numComponents; ++ic ) + integer const numDofs = 2 + m_numComponents; + + // Iterative solve to converge flash + bool const flashStatus = NegativeTwoPhaseFlash::compute< EOS_TYPE_LIQUID, EOS_TYPE_VAPOUR >( + m_numComponents, + pressure, + temperature, + compFraction, + componentProperties, + kValues, + phaseFraction.value[m_vapourIndex], + phaseCompFraction.value[m_liquidIndex], + phaseCompFraction.value[m_vapourIndex] ); + GEOS_UNUSED_VAR( flashStatus ); + //GEOS_ERROR_IF( !flashStatus, + // GEOS_FMT( "Negative two phase flash failed to converge {:.5e} {:.3f}", pressure, temperature )); + + // Calculate derivatives + NegativeTwoPhaseFlash::computeDerivatives< EOS_TYPE_LIQUID, EOS_TYPE_VAPOUR >( + m_numComponents, + pressure, + temperature, + compFraction, + componentProperties, + phaseFraction.value[m_vapourIndex], + phaseCompFraction.value[m_liquidIndex].toSliceConst(), + phaseCompFraction.value[m_vapourIndex].toSliceConst(), + phaseFraction.derivs[m_vapourIndex], + phaseCompFraction.derivs[m_liquidIndex], + phaseCompFraction.derivs[m_vapourIndex] ); + + // Complete by calculating liquid phase fraction + phaseFraction.value[m_liquidIndex] = 1.0 - phaseFraction.value[m_vapourIndex]; + for( integer ic = 0; ic < numDofs; ic++ ) { - phaseCompFraction.value[m_liquidIndex][ic] = compFraction[ic]; - phaseCompFraction.value[m_vapourIndex][ic] = compFraction[ic]; + phaseFraction.derivs[m_liquidIndex][ic] = -phaseFraction.derivs[m_vapourIndex][ic]; } - - LvArray::forValuesInSlice( phaseFraction.derivs, setZero ); - LvArray::forValuesInSlice( phaseCompFraction.derivs, setZero ); } private: diff --git a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/NullModel.hpp b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/NullModel.hpp index 00eae8f5948..46ed03f89b9 100644 --- a/src/coreComponents/constitutive/fluid/multifluid/compositional/models/NullModel.hpp +++ b/src/coreComponents/constitutive/fluid/multifluid/compositional/models/NullModel.hpp @@ -35,18 +35,6 @@ class NullModelUpdate final : public FunctionBaseUpdate public: NullModelUpdate() = default; - template< int USD1 > - GEOS_HOST_DEVICE - void compute( ComponentProperties::KernelWrapper const & componentProperties, - real64 const & pressure, - real64 const & temperature, - arraySlice1d< real64 const, USD1 > const & phaseComposition, - real64 & value, - bool useMass ) const - { - GEOS_UNUSED_VAR( componentProperties, pressure, temperature, phaseComposition, value, useMass ); - } - template< int USD1, int USD2, int USD3 > GEOS_HOST_DEVICE void compute( ComponentProperties::KernelWrapper const & componentProperties, diff --git a/src/coreComponents/constitutive/permeability/PermeabilityBase.cpp b/src/coreComponents/constitutive/permeability/PermeabilityBase.cpp index b023e926115..8bbdcbdcffd 100644 --- a/src/coreComponents/constitutive/permeability/PermeabilityBase.cpp +++ b/src/coreComponents/constitutive/permeability/PermeabilityBase.cpp @@ -68,6 +68,5 @@ void PermeabilityBase::allocateConstitutiveData( dataRepository::Group & parent, ConstitutiveBase::allocateConstitutiveData( parent, numConstitutivePointsPerParentIndex ); } -REGISTER_CATALOG_ENTRY( ConstitutiveBase, PermeabilityBase, string const &, Group * const ) } } /* namespace geos */ diff --git a/src/coreComponents/constitutive/permeability/PermeabilityBase.hpp b/src/coreComponents/constitutive/permeability/PermeabilityBase.hpp index ee7c661d600..966b0bf035a 100644 --- a/src/coreComponents/constitutive/permeability/PermeabilityBase.hpp +++ b/src/coreComponents/constitutive/permeability/PermeabilityBase.hpp @@ -113,10 +113,6 @@ class PermeabilityBase : public ConstitutiveBase virtual void allocateConstitutiveData( dataRepository::Group & parent, localIndex const numConstitutivePointsPerParentIndex ) override; - static string catalogName() { return "PermeabilityBase"; } - - virtual string getCatalogName() const override { return catalogName(); } - /** * @brief Const/non-mutable accessor for permeability. * @return Accessor diff --git a/src/coreComponents/constitutive/solid/porosity/PorosityBase.hpp b/src/coreComponents/constitutive/solid/porosity/PorosityBase.hpp index 595b8354fe1..395f209e1f7 100644 --- a/src/coreComponents/constitutive/solid/porosity/PorosityBase.hpp +++ b/src/coreComponents/constitutive/solid/porosity/PorosityBase.hpp @@ -137,10 +137,6 @@ class PorosityBase : public ConstitutiveBase virtual void allocateConstitutiveData( dataRepository::Group & parent, localIndex const numConstitutivePointsPerParentIndex ) override; - static string catalogName() { return "PorosityBase"; } - - virtual string getCatalogName() const override { return catalogName(); } - struct viewKeyStruct : public ConstitutiveBase::viewKeyStruct { static constexpr char const * defaultReferencePorosityString() { return "defaultReferencePorosity"; } diff --git a/src/coreComponents/constitutive/unitTests/CMakeLists.txt b/src/coreComponents/constitutive/unitTests/CMakeLists.txt index add6c460a3f..10625ef6df4 100644 --- a/src/coreComponents/constitutive/unitTests/CMakeLists.txt +++ b/src/coreComponents/constitutive/unitTests/CMakeLists.txt @@ -1,12 +1,15 @@ # Specify list of tests set( gtest_geosx_tests + testCompositionalDensity.cpp testCompositionalProperties.cpp testDamageUtilities.cpp testDruckerPrager.cpp testElasticIsotropic.cpp testKValueInitialization.cpp + testLohrenzBrayClarkViscosity.cpp testModifiedCamClay.cpp testNegativeTwoPhaseFlash.cpp + testNegativeTwoPhaseFlash9Comp.cpp testParticleFluidEnums.cpp testPropertyConversions.cpp testCubicEOS.cpp diff --git a/src/coreComponents/constitutive/unitTests/TestFluid.hpp b/src/coreComponents/constitutive/unitTests/TestFluid.hpp index e9f2f1fbf76..c0d8cbb2d1c 100644 --- a/src/coreComponents/constitutive/unitTests/TestFluid.hpp +++ b/src/coreComponents/constitutive/unitTests/TestFluid.hpp @@ -44,12 +44,12 @@ struct Fluid static constexpr integer C8 = 9; static constexpr integer C10 = 10; - static constexpr integer Pc = 0; - static constexpr integer Tc = 1; - static constexpr integer Vc = 2; - static constexpr integer Ac = 3; - static constexpr integer Mw = 4; - static constexpr integer Vs = 5; + static constexpr integer Pc = 0; // Critical pressure + static constexpr integer Tc = 1; // Critical temperature + static constexpr integer Vc = 2; // Critical colume + static constexpr integer Ac = 3; // Accentric factor + static constexpr integer Mw = 4; // Molecular weight + static constexpr integer Vs = 5; // Volume shift static std::array< real64, 66 > data; }; @@ -66,6 +66,10 @@ class TestFluid static std::unique_ptr< TestFluid< NC > > create( std::array< integer, NC > const & components ) { std::unique_ptr< TestFluid< NC > > testFluid( new TestFluid() ); + for( integer ic = 0; ic < NC; ++ic ) + { + testFluid->componentNames.emplace_back( GEOS_FMT( "COMP{}", ic+1 )); + } createArray( testFluid->criticalPressure, components, Fluid::Pc, Fluid::data ); createArray( testFluid->criticalTemperature, components, Fluid::Tc, Fluid::data ); createArray( testFluid->criticalVolume, components, Fluid::Vc, Fluid::data ); @@ -76,21 +80,48 @@ class TestFluid return testFluid; } - constitutive::compositional::ComponentProperties::KernelWrapper createKernelWrapper() const + template< typename LIST > + void setBinaryCoefficients( LIST const & bics ) { - return constitutive::compositional::ComponentProperties::KernelWrapper( - molecularWeight, - criticalPressure, - criticalTemperature, - criticalVolume, - acentricFactor, - volumeShift, - binaryCoeff ); + auto bic = bics.begin(); + for( int i = 0; i < NC; ++i ) + { + for( int j = 0; j < i; ++j ) + { + binaryCoeff( i, j ) = *bic++; + binaryCoeff( j, i ) = binaryCoeff( i, j ); + } + binaryCoeff( i, i ) = 0.0; + } + } + + constitutive::compositional::ComponentProperties & getComponentProperties() + { + if( !m_component_properties ) + { + m_component_properties = std::make_unique< constitutive::compositional::ComponentProperties >( + componentNames, + molecularWeight, + criticalPressure, + criticalTemperature, + criticalVolume, + acentricFactor, + volumeShift, + binaryCoeff ); + } + return *m_component_properties; + } + + constitutive::compositional::ComponentProperties::KernelWrapper createKernelWrapper() + { + return getComponentProperties().createKernelWrapper(); } private: TestFluid() = default; +public: + string_array componentNames; array1d< real64 > criticalPressure; array1d< real64 > criticalTemperature; array1d< real64 > criticalVolume; @@ -99,6 +130,9 @@ class TestFluid array1d< real64 > volumeShift; array2d< real64 > binaryCoeff; +private: + std::unique_ptr< constitutive::compositional::ComponentProperties > m_component_properties{}; + private: template< typename ARRAY, typename LIST, typename DATAARRAY > static void createArray( ARRAY & array, LIST const & indices, integer const row, DATAARRAY const & data ) @@ -117,6 +151,15 @@ class TestFluid array.emplace_back( value ); } } + template< typename ARRAY, typename LIST > + static void populateArray( ARRAY & array, LIST const & data ) + { + integer i = 0; + for( auto const value : data ) + { + array[i++] = value; + } + } }; std::array< real64, 66 > Fluid::data = { @@ -133,8 +176,8 @@ std::array< real64, 66 > Fluid::data = { 3.4400e-01, 2.3900e-01, 4.0000e-02, 9.4200e-02, -2.1900e-01, 9.9500e-02, 1.5230e-01, 1.8440e-01, 1.1400e-02, 4.4300e-01, 8.1600e-01, // -- Mw - 1.8015e+01, 4.4010e+01, 2.8013e+01, 3.4100e+01, 1.6043e+01, 3.0070e+01, - 4.4097e+01, 5.8124e+01, 7.2151e+01, 1.1423e+02, 1.4228e+02, + 1.8015e-02, 4.4010e-02, 2.8013e-02, 3.4100e-02, 1.6043e-02, 3.0070e-02, + 4.4097e-02, 5.8124e-02, 7.2151e-02, 1.1423e-01, 1.4228e-01, // -- Vs 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, diff --git a/src/coreComponents/constitutive/unitTests/TestFluidUtilities.hpp b/src/coreComponents/constitutive/unitTests/TestFluidUtilities.hpp index ec2cea463ca..c608334e028 100644 --- a/src/coreComponents/constitutive/unitTests/TestFluidUtilities.hpp +++ b/src/coreComponents/constitutive/unitTests/TestFluidUtilities.hpp @@ -59,6 +59,59 @@ void testNumericalDerivative( real64 const x, real64 const dx, real64 const deri checkRelativeError( derivative, rightDerivative, relTolerance, absTolerance, "Right derivative" ); } +/** + * @brief Tests a multi-valued function against a derivative + * @details Will calculate the left-sided and the right-sided numerical derivatives of a function + * and compare this against a analytically calculated values provided. + * @tparam numValues the number of values that the function returns + * @tparam FUNCTION the type of function (typically a lambda) + * @param x The value at which the function should be evaluated + * @param dx The value to use to perturb @c x in the calculation of the numerical derivatives + * @param derivatives The values of the analytically calculated derivatives to use for comparison + * @param function The function which is being tested. This should be a function that takes 2 parameters. + * The first is the value at which the function is being evaluated (x) and the second is an array + * of size @c numValues which is the result of the execution of the function. + * @param absTolerance The absolute tolerance to use for the comparison + * @param relTolerance The relative tolerance to use for the comparison + */ +template< integer numValues, typename FUNCTION > +void testNumericalDerivative( real64 const x, + real64 const dx, + arraySlice1d< real64 const > const & derivatives, + FUNCTION && function, + real64 const absTolerance = absTol, + real64 const relTolerance = relTol ) +{ + stackArray1d< real64, numValues > leftValues( numValues ); + stackArray1d< real64, numValues > centreValues( numValues ); + stackArray1d< real64, numValues > rightValues( numValues ); + function( x-dx, leftValues ); + function( x, centreValues ); + function( x+dx, rightValues ); + + // Use the same space to calculate the left-sided and right sided derivatives + for( integer i = 0; i < numValues; ++i ) + { + // Choose from the left, central and right derivatives, the one that's nearest the analytical value + real64 minError = LvArray::NumericLimits< real64 >::max; + real64 selectedDerivative = 0.0; + for( real64 const distance : {centreValues[i] - leftValues[i], + rightValues[i] - centreValues[i], + 0.5*(rightValues[i] - leftValues[i])} ) + { + real64 const deriv = distance / dx; + real64 const error = LvArray::math::abs( deriv - derivatives[i] ); + if( error < minError ) + { + minError = error; + selectedDerivative = deriv; + } + } + checkRelativeError( derivatives[i], selectedDerivative, relTolerance, absTolerance, + GEOS_FMT( "Numerical derivative for component {}", i ) ); + } +} + }// namespace internal }// namespace testing diff --git a/src/coreComponents/constitutive/unitTests/testCompositionalDensity.cpp b/src/coreComponents/constitutive/unitTests/testCompositionalDensity.cpp new file mode 100644 index 00000000000..08cfdf720c9 --- /dev/null +++ b/src/coreComponents/constitutive/unitTests/testCompositionalDensity.cpp @@ -0,0 +1,256 @@ +/* + * ------------------------------------------------------------------------------------------------------------ + * SPDX-License-Identifier: LGPL-2.1-only + * + * Copyright (c) 2018-2020 Lawrence Livermore National Security LLC + * Copyright (c) 2018-2020 The Board of Trustees of the Leland Stanford Junior University + * Copyright (c) 2018-2020 TotalEnergies + * Copyright (c) 2019- GEOSX Contributors + * All rights reserved + * + * See top level LICENSE, COPYRIGHT, CONTRIBUTORS, NOTICE, and ACKNOWLEDGEMENTS files for details. + * ------------------------------------------------------------------------------------------------------------ + */ + +// Source includes +#include "codingUtilities/UnitTestUtilities.hpp" +#include "constitutive/fluid/multifluid/compositional/functions/CubicEOSPhaseModel.hpp" +#include "constitutive/fluid/multifluid/compositional/models/CompositionalDensity.hpp" +#include "TestFluid.hpp" +#include "TestFluidUtilities.hpp" + +using namespace geos::constitutive::compositional; + +namespace geos +{ +namespace testing +{ + +template< int NC > +using DensityData = std::tuple< + real64 const, // pressure + real64 const, // temperature + Feed< NC > const, // phase composition + real64 const, // expected molar density + real64 const // expected mass density + >; + +template< int NC > +struct FluidData {}; + +template<> +struct FluidData< 9 > +{ + static std::unique_ptr< TestFluid< 9 > > createFluid() + { + auto fluid = TestFluid< 9 >::create( {Fluid::H2O, Fluid::CO2, Fluid::N2, Fluid::C5, Fluid::C2, Fluid::C3, Fluid::C4, Fluid::C5, Fluid::C10} ); + const std::array< real64 const, 36 > bics = { + 0.01, 0, 0.003732, 0, 0.01, 0, 0, 0.01, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0.01, 0, 0.028, 0.01, 0.01, 0, 0, 0.01, 0, 0.04532, 0.01, 0.01, 0, 0, 0 + }; + fluid->setBinaryCoefficients( bics ); + return fluid; + } +}; + +template< int NC, typename EOS_TYPE > +class CompositionalDensityTestFixture : public ::testing::TestWithParam< DensityData< NC > > +{ + static constexpr real64 relTol = 1.0e-5; + static constexpr real64 absTol = 1.0e-7; + static constexpr int numComps = NC; + static constexpr int numDofs = NC + 2; + using Deriv = geos::constitutive::multifluid::DerivativeOffset; +public: + CompositionalDensityTestFixture() + : m_fluid( FluidData< NC >::createFluid() ) + { + ComponentProperties const & componentProperties = this->m_fluid->getComponentProperties(); + m_density = std::make_unique< CompositionalDensity< EOS_TYPE > >( "PhaseDensity", componentProperties ); + } + + ~CompositionalDensityTestFixture() = default; + + void testDensityValues( DensityData< NC > const & data ) + { + real64 const pressure = std::get< 0 >( data ); + real64 const temperature = std::get< 1 >( data ); + stackArray1d< real64, numComps > phaseComposition; + TestFluid< NC >::createArray( phaseComposition, std::get< 2 >( data )); + real64 const expectedMolarDensity = std::get< 3 >( data ); + real64 const expectedMassDensity = std::get< 4 >( data ); + + auto componentProperties = m_fluid->createKernelWrapper(); + auto kernelWrapper = this->m_density->createKernelWrapper(); + + real64 molarDensity = 0.0; + real64 massDensity = 0.0; + stackArray1d< real64, numDofs > tempDerivs( numDofs ); + + kernelWrapper.compute( componentProperties, + pressure, + temperature, + phaseComposition.toSliceConst(), + molarDensity, + tempDerivs.toSlice(), + massDensity, + tempDerivs.toSlice(), + false ); + + checkRelativeError( molarDensity, expectedMolarDensity, relTol, absTol ); + checkRelativeError( massDensity, expectedMassDensity, relTol, absTol ); + } + + void testDensityDerivatives( DensityData< NC > const & data ) + { + real64 const pressure = std::get< 0 >( data ); + real64 const temperature = std::get< 1 >( data ); + stackArray1d< real64, numComps > phaseComposition; + TestFluid< NC >::createArray( phaseComposition, std::get< 2 >( data )); + + auto componentProperties = m_fluid->createKernelWrapper(); + auto kernelWrapper = m_density->createKernelWrapper(); + + real64 molarDensity = 0.0; + real64 massDensity = 0.0; + stackArray1d< real64, numDofs > molarDensityDerivs( numDofs ); + stackArray1d< real64, numDofs > massDensityDerivs( numDofs ); + + kernelWrapper.compute( componentProperties, + pressure, + temperature, + phaseComposition.toSliceConst(), + molarDensity, + molarDensityDerivs.toSlice(), + massDensity, + massDensityDerivs.toSlice(), + false ); + + auto calculateDensity = [&]( real64 const p, real64 const t, auto const & zmf ) -> std::pair< real64, real64 > { + real64 densityMolar = 0.0; + real64 densityMass = 0.0; + stackArray1d< real64, numDofs > tempDerivs( numDofs ); + kernelWrapper.compute( componentProperties, p, t, + zmf.toSliceConst(), + densityMolar, + tempDerivs.toSlice(), + densityMass, + tempDerivs.toSlice(), + false ); + return {densityMolar, densityMass}; + }; + + // Compare against numerical derivatives + // -- Pressure derivative + real64 const dp = 1.0e-4 * pressure; + internal::testNumericalDerivative( + pressure, dp, molarDensityDerivs[Deriv::dP], + [&]( real64 const p ) -> real64 { + return calculateDensity( p, temperature, phaseComposition ).first; + } ); + internal::testNumericalDerivative( + pressure, dp, massDensityDerivs[Deriv::dP], + [&]( real64 const p ) -> real64 { + return calculateDensity( p, temperature, phaseComposition ).second; + } ); + + // -- Temperature derivative + real64 const dT = 1.0e-6 * temperature; + internal::testNumericalDerivative( + temperature, dT, molarDensityDerivs[Deriv::dT], + [&]( real64 const t ) -> real64 { + return calculateDensity( pressure, t, phaseComposition ).first; + } ); + internal::testNumericalDerivative( + temperature, dT, massDensityDerivs[Deriv::dT], + [&]( real64 const t ) -> real64 { + return calculateDensity( pressure, t, phaseComposition ).second; + } ); + + // -- Composition derivatives derivative + real64 const dz = 1.0e-7; + for( integer ic = 0; ic < numComps; ++ic ) + { + internal::testNumericalDerivative( + 0.0, dz, molarDensityDerivs[Deriv::dC + ic], + [&]( real64 const z ) -> real64 { + stackArray1d< real64, numComps > zmf( numComps ); + for( integer jc = 0; jc < numComps; ++jc ) + { + zmf[jc] = phaseComposition[jc]; + } + zmf[ic] += z; + return calculateDensity( pressure, temperature, zmf ).first; + } ); + internal::testNumericalDerivative( + 0.0, dz, massDensityDerivs[Deriv::dC + ic], + [&]( real64 const z ) -> real64 { + stackArray1d< real64, numComps > zmf( numComps ); + for( integer jc = 0; jc < numComps; ++jc ) + { + zmf[jc] = phaseComposition[jc]; + } + zmf[ic] += z; + return calculateDensity( pressure, temperature, zmf ).second; + } ); + } + } + +protected: + std::unique_ptr< CompositionalDensity< EOS_TYPE > > m_density{}; + std::unique_ptr< TestFluid< NC > > m_fluid{}; +}; + +using CompositionalDensity9CompPR = CompositionalDensityTestFixture< 9, CubicEOSPhaseModel< PengRobinsonEOS > >; +using CompositionalDensity9CompSRK = CompositionalDensityTestFixture< 9, CubicEOSPhaseModel< SoaveRedlichKwongEOS > >; + +TEST_P( CompositionalDensity9CompPR, testDensityDerivatives ) +{ + testDensityDerivatives( GetParam() ); +} + +TEST_P( CompositionalDensity9CompSRK, testDensityDerivatives ) +{ + testDensityDerivatives( GetParam() ); +} + +INSTANTIATE_TEST_SUITE_P( + CompositionalDensityTest, + CompositionalDensity9CompPR, + ::testing::ValuesIn( { + DensityData< 9 >{1.839590e+06, 2.971500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 8.355571e+03, 4.559906e+02 }, + DensityData< 9 >{1.839590e+06, 2.971500e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 7.703898e+02, 2.691914e+01 }, + DensityData< 9 >{1.839590e+06, 2.971500e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 8.337694e+03, 4.567935e+02 }, + DensityData< 9 >{1.839590e+06, 3.630000e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 9.073321e+02, 4.951606e+01 }, + DensityData< 9 >{1.839590e+06, 3.630000e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 6.178234e+02, 2.158813e+01 }, + DensityData< 9 >{1.839590e+06, 3.630000e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 9.197865e+02, 5.039192e+01 }, + DensityData< 9 >{1.839590e+08, 2.971500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1.095078e+04, 5.976195e+02 }, + DensityData< 9 >{1.839590e+08, 2.971500e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 2.480270e+04, 8.666618e+02 }, + DensityData< 9 >{1.839590e+08, 2.971500e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 1.087917e+04, 5.960323e+02 }, + DensityData< 9 >{1.839590e+08, 3.630000e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1.065128e+04, 5.812747e+02 }, + DensityData< 9 >{1.839590e+08, 3.630000e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 2.305823e+04, 8.057060e+02 }, + DensityData< 9 >{1.839590e+08, 3.630000e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 1.058381e+04, 5.798506e+02 } + } ) + ); +INSTANTIATE_TEST_SUITE_P( + CompositionalDensityTest, + CompositionalDensity9CompSRK, + ::testing::ValuesIn( { + DensityData< 9 >{1.839590e+06, 2.971500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 7.433979e+03, 4.056963e+02 }, + DensityData< 9 >{1.839590e+06, 2.971500e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 7.629968e+02, 2.666082e+01 }, + DensityData< 9 >{1.839590e+06, 2.971500e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 7.416959e+03, 4.063495e+02 }, + DensityData< 9 >{1.839590e+06, 3.630000e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 8.919848e+02, 4.867851e+01 }, + DensityData< 9 >{1.839590e+06, 3.630000e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 6.133569e+02, 2.143206e+01 }, + DensityData< 9 >{1.839590e+06, 3.630000e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 9.045641e+02, 4.955794e+01 }, + DensityData< 9 >{1.839590e+08, 2.971500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 9.868675e+03, 5.385656e+02 }, + DensityData< 9 >{1.839590e+08, 2.971500e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 2.257420e+04, 7.887929e+02 }, + DensityData< 9 >{1.839590e+08, 2.971500e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 9.803814e+03, 5.371171e+02 }, + DensityData< 9 >{1.839590e+08, 3.630000e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 9.615674e+03, 5.247585e+02 }, + DensityData< 9 >{1.839590e+08, 3.630000e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 2.109248e+04, 7.370183e+02 }, + DensityData< 9 >{1.839590e+08, 3.630000e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 9.554300e+03, 5.234471e+02 } + } ) + ); + +} // testing + +} // geos diff --git a/src/coreComponents/constitutive/unitTests/testCompositionalProperties.cpp b/src/coreComponents/constitutive/unitTests/testCompositionalProperties.cpp index c41428ed2da..320e1a4b085 100644 --- a/src/coreComponents/constitutive/unitTests/testCompositionalProperties.cpp +++ b/src/coreComponents/constitutive/unitTests/testCompositionalProperties.cpp @@ -51,6 +51,8 @@ class CompositionalPropertiesTestDataTestFixture : public ::testing::TestWithPar { public: static constexpr integer numComps = NC; + static constexpr integer numDof = NC + 2; + using Deriv = geos::constitutive::multifluid::DerivativeOffset; public: CompositionalPropertiesTestDataTestFixture() : m_fluid( createFluid< NC >() ) @@ -65,7 +67,7 @@ class CompositionalPropertiesTestDataTestFixture : public ::testing::TestWithPar real64 const molarDensity = computeMolarDensity( pressure, temperature, - composition ); + composition.toSliceConst() ); checkRelativeError( molarDensity, expectedMolarDensity, internal::relTol, internal::absTol ); } @@ -76,23 +78,19 @@ class CompositionalPropertiesTestDataTestFixture : public ::testing::TestWithPar const auto [pressure, temperature, composition] = getInputData( data ); real64 molarDensity = 0.0; - real64 dMolarDensity_dp = 0.0; - real64 dMolarDensity_dt = 0.0; - array1d< real64 > dMolarDensity_dz( numComps ); + stackArray1d< real64, numDof > molarDensityDerivs( numDof ); computeMolarDensity( pressure, temperature, - composition, + composition.toSliceConst(), molarDensity, - dMolarDensity_dp, - dMolarDensity_dt, - dMolarDensity_dz ); + molarDensityDerivs.toSlice() ); // Compare against numerical derivatives // -- Pressure derivative real64 const dp = 1.0e-4 * pressure; internal::testNumericalDerivative( - pressure, dp, dMolarDensity_dp, + pressure, dp, molarDensityDerivs[Deriv::dP], [this, & t=temperature, & zmf=composition]( real64 const p ) -> real64 { return computeMolarDensity( p, t, zmf ); } ); @@ -100,7 +98,7 @@ class CompositionalPropertiesTestDataTestFixture : public ::testing::TestWithPar // -- Temperature derivative real64 const dT = 1.0e-6 * temperature; internal::testNumericalDerivative( - temperature, dT, dMolarDensity_dt, + temperature, dT, molarDensityDerivs[Deriv::dT], [this, & p=pressure, & zmf=composition]( real64 const t ) -> real64 { return computeMolarDensity( p, t, zmf ); } ); @@ -110,7 +108,7 @@ class CompositionalPropertiesTestDataTestFixture : public ::testing::TestWithPar for( integer ic = 0; ic < numComps; ++ic ) { internal::testNumericalDerivative( - 0.0, dz, dMolarDensity_dz[ic], + 0.0, dz, molarDensityDerivs[Deriv::dC + ic], [this, & p=pressure, & t=temperature, zmf=composition, ic]( real64 const z ) -> real64 { zmf[ic] += z; real64 const density = computeMolarDensity( p, t, zmf ); @@ -139,23 +137,19 @@ class CompositionalPropertiesTestDataTestFixture : public ::testing::TestWithPar const auto [pressure, temperature, composition] = getInputData( data ); real64 massDensity = 0.0; - real64 dMassDensity_dp = 0.0; - real64 dMassDensity_dt = 0.0; - array1d< real64 > dMassDensity_dz( numComps ); + array1d< real64 > massDensityDerivs( numDof ); computeMassDensity( pressure, temperature, composition, massDensity, - dMassDensity_dp, - dMassDensity_dt, - dMassDensity_dz ); + massDensityDerivs ); // Compare against numerical derivatives // -- Pressure derivative real64 const dp = 1.0e-4 * pressure; internal::testNumericalDerivative( - pressure, dp, dMassDensity_dp, + pressure, dp, massDensityDerivs[Deriv::dP], [this, & t=temperature, & zmf=composition]( real64 const p ) -> real64 { return computeMassDensity( p, t, zmf ); } ); @@ -163,7 +157,7 @@ class CompositionalPropertiesTestDataTestFixture : public ::testing::TestWithPar // -- Temperature derivative real64 const dT = 1.0e-6 * temperature; internal::testNumericalDerivative( - temperature, dT, dMassDensity_dt, + temperature, dT, massDensityDerivs[Deriv::dT], [this, & p=pressure, & zmf=composition]( real64 const t ) -> real64 { return computeMassDensity( p, t, zmf ); } ); @@ -173,11 +167,12 @@ class CompositionalPropertiesTestDataTestFixture : public ::testing::TestWithPar for( integer ic = 0; ic < numComps; ++ic ) { internal::testNumericalDerivative( - 0.0, dz, dMassDensity_dz[ic], + 0.0, dz, massDensityDerivs[Deriv::dC + ic], [this, & p=pressure, & t=temperature, & zmf=composition, ic]( real64 const z ) -> real64 { + real64 const z0 = zmf[ic]; zmf[ic] += z; real64 const density = computeMassDensity( p, t, zmf ); - zmf[ic] -= z; + zmf[ic] = z0; return density; } ); } @@ -195,64 +190,26 @@ class CompositionalPropertiesTestDataTestFixture : public ::testing::TestWithPar } real64 computeMolarDensity( real64 const pressure, real64 const temperature, - arrayView1d< real64 const > const & composition ) const + arraySlice1d< real64 const > const & composition ) const { - auto const componentProperties = this->m_fluid->createKernelWrapper(); - auto const binaryInteractionCoefficients = componentProperties.m_componentBinaryCoeff; - auto const volumeShift = componentProperties.m_componentVolumeShift; - - real64 compressibilityFactor = 0.0; real64 molarDensity = 0.0; - array1d< real64 > aPureCoefficient( numComps ); - array1d< real64 > bPureCoefficient( numComps ); - real64 aMixtureCoefficient = 0.0; - real64 bMixtureCoefficient = 0.0; - - CubicEOSPhaseModel< EOS_TYPE >:: - computeMixtureCoefficients( numComps, - pressure, - temperature, - composition, - componentProperties, - aPureCoefficient, - bPureCoefficient, - aMixtureCoefficient, - bMixtureCoefficient ); - - CubicEOSPhaseModel< EOS_TYPE >:: - computeCompressibilityFactor( numComps, - composition, - binaryInteractionCoefficients, - aPureCoefficient, - bPureCoefficient, - aMixtureCoefficient, - bMixtureCoefficient, - compressibilityFactor ); - - CompositionalProperties::computeMolarDensity( numComps, - pressure, - temperature, - composition, - volumeShift, - compressibilityFactor, - molarDensity ); + stackArray1d< real64, numDof > molarDensityDerivs( numDof ); + computeMolarDensity( pressure, temperature, composition, molarDensity, molarDensityDerivs.toSlice() ); return molarDensity; } void computeMolarDensity( real64 const pressure, real64 const temperature, - arrayView1d< real64 const > const & composition, + arraySlice1d< real64 const > const & composition, real64 & molarDensity, - real64 & dMolarDensity_dp, - real64 & dMolarDensity_dt, - arraySlice1d< real64 > const dMolarDensity_dz ) const + arraySlice1d< real64 > const molarDensityDerivs ) const { auto const componentProperties = this->m_fluid->createKernelWrapper(); auto const binaryInteractionCoefficients = componentProperties.m_componentBinaryCoeff; auto const volumeShift = componentProperties.m_componentVolumeShift; real64 compressibilityFactor = 0.0; - array1d< real64 > aPureCoefficient( numComps ); - array1d< real64 > bPureCoefficient( numComps ); + stackArray1d< real64, numComps > aPureCoefficient( numComps ); + stackArray1d< real64, numComps > bPureCoefficient( numComps ); real64 aMixtureCoefficient = 0.0; real64 bMixtureCoefficient = 0.0; @@ -262,17 +219,13 @@ class CompositionalPropertiesTestDataTestFixture : public ::testing::TestWithPar temperature, composition, componentProperties, - aPureCoefficient, - bPureCoefficient, + aPureCoefficient.toSlice(), + bPureCoefficient.toSlice(), aMixtureCoefficient, bMixtureCoefficient ); - real64 daMixtureCoefficient_dp = 0.0; - real64 dbMixtureCoefficient_dp = 0.0; - real64 daMixtureCoefficient_dt = 0.0; - real64 dbMixtureCoefficient_dt = 0.0; - array1d< real64 > daMixtureCoefficient_dz( numComps ); - array1d< real64 > dbMixtureCoefficient_dz( numComps ); + stackArray1d< real64, numDof > aMixtureCoefficientDerivs( numDof ); + stackArray1d< real64, numDof > bMixtureCoefficientDerivs( numDof ); CubicEOSPhaseModel< EOS_TYPE >:: computeMixtureCoefficients( numComps, @@ -280,54 +233,33 @@ class CompositionalPropertiesTestDataTestFixture : public ::testing::TestWithPar temperature, composition, componentProperties, - aPureCoefficient, - bPureCoefficient, + aPureCoefficient.toSliceConst(), + bPureCoefficient.toSliceConst(), aMixtureCoefficient, bMixtureCoefficient, - daMixtureCoefficient_dp, - dbMixtureCoefficient_dp, - daMixtureCoefficient_dt, - dbMixtureCoefficient_dt, - daMixtureCoefficient_dz, - dbMixtureCoefficient_dz ); + aMixtureCoefficientDerivs.toSlice(), + bMixtureCoefficientDerivs.toSlice() ); CubicEOSPhaseModel< EOS_TYPE >:: computeCompressibilityFactor( numComps, composition, binaryInteractionCoefficients, - aPureCoefficient, - bPureCoefficient, + aPureCoefficient.toSliceConst(), + bPureCoefficient.toSliceConst(), aMixtureCoefficient, bMixtureCoefficient, compressibilityFactor ); - real64 dCompressibilityFactor_dp = 0.0; - real64 dCompressibilityFactor_dt = 0.0; - array1d< real64 > dCompressibilityFactor_dz( numComps ); + stackArray1d< real64, numDof > compressibilityFactorDerivs( numDof ); CubicEOSPhaseModel< EOS_TYPE >:: computeCompressibilityFactor( numComps, aMixtureCoefficient, bMixtureCoefficient, compressibilityFactor, - daMixtureCoefficient_dp, - dbMixtureCoefficient_dp, - daMixtureCoefficient_dt, - dbMixtureCoefficient_dt, - daMixtureCoefficient_dz, - dbMixtureCoefficient_dz, - dCompressibilityFactor_dp, - dCompressibilityFactor_dt, - dCompressibilityFactor_dz ); - - CompositionalProperties:: - computeMolarDensity( numComps, - pressure, - temperature, - composition, - volumeShift, - compressibilityFactor, - molarDensity ); + aMixtureCoefficientDerivs.toSliceConst(), + bMixtureCoefficientDerivs.toSliceConst(), + compressibilityFactorDerivs.toSlice() ); CompositionalProperties:: computeMolarDensity( numComps, @@ -336,66 +268,44 @@ class CompositionalPropertiesTestDataTestFixture : public ::testing::TestWithPar composition, volumeShift, compressibilityFactor, - dCompressibilityFactor_dp, - dCompressibilityFactor_dt, - dCompressibilityFactor_dz, + compressibilityFactorDerivs.toSliceConst(), molarDensity, - dMolarDensity_dp, - dMolarDensity_dt, - dMolarDensity_dz ); + molarDensityDerivs ); } real64 computeMassDensity( real64 const pressure, real64 const temperature, - arrayView1d< real64 const > const & composition ) const + arraySlice1d< real64 const > const & composition ) const { - auto const componentProperties = this->m_fluid->createKernelWrapper(); - auto const molecularWeight = componentProperties.m_componentMolarWeight; - - real64 const molarDensity = computeMolarDensity( pressure, temperature, composition ); real64 massDensity = 0.0; - CompositionalProperties:: - computeMassDensity( numComps, - composition, - molecularWeight, - molarDensity, - massDensity ); + stackArray1d< real64, numDof > massDensityDerivs( numDof ); + computeMassDensity( pressure, temperature, composition, massDensity, massDensityDerivs.toSlice() ); return massDensity; } void computeMassDensity( real64 const pressure, real64 const temperature, - arrayView1d< real64 const > const & composition, + arraySlice1d< real64 const > const & composition, real64 & massDensity, - real64 & dMassDensity_dp, - real64 & dMassDensity_dt, - arraySlice1d< real64 > const dMassDensity_dz ) const + arraySlice1d< real64 > const massDensityDerivs ) const { auto const componentProperties = this->m_fluid->createKernelWrapper(); auto const molecularWeight = componentProperties.m_componentMolarWeight; - massDensity = computeMassDensity( pressure, temperature, composition ); - real64 molarDensity = 0.0; - real64 dMolarDensity_dp = 0.0; - real64 dMolarDensity_dt = 0.0; - array1d< real64 > dMolarDensity_dz( numComps ); + stackArray1d< real64, numDof > molarDensityDerivs( numDof ); + computeMolarDensity( pressure, temperature, composition, molarDensity, - dMolarDensity_dp, - dMolarDensity_dt, - dMolarDensity_dz ); + molarDensityDerivs.toSlice() ); CompositionalProperties:: computeMassDensity( numComps, + composition, molecularWeight, molarDensity, - dMolarDensity_dp, - dMolarDensity_dt, - dMolarDensity_dz, + molarDensityDerivs.toSliceConst(), massDensity, - dMassDensity_dp, - dMassDensity_dt, - dMassDensity_dz ); + massDensityDerivs ); } protected: @@ -430,72 +340,72 @@ template<> std::vector< CompositionalPropertiesTestData< 4 > > generateTestData< PengRobinsonEOS, 4 >() { return { - { 1.000000e+05, 2.771500e+02, { 0.000000, 0.495099, 0.495118, 0.009783 }, 3.733061e+03, 1.271768e+02, 4.747588e+05 }, - { 1.000000e+05, 2.771500e+02, { 0.000652, 0.128231, 0.128281, 0.742836 }, 1.119134e+04, 4.630013e+01, 5.181608e+05 }, - { 1.000000e+05, 2.771500e+02, { 0.855328, 0.000205, 0.000000, 0.144467 }, 4.348717e+01, 2.658628e+01, 1.156162e+03 }, - { 1.000000e+05, 2.886500e+02, { 0.000507, 0.112984, 0.113029, 0.773480 }, 1.214893e+04, 4.293636e+01, 5.216311e+05 }, - { 1.000000e+05, 2.886500e+02, { 0.777870, 0.000520, 0.000000, 0.221610 }, 4.177763e+01, 2.584219e+01, 1.079625e+03 }, - { 1.000000e+05, 2.886500e+02, { 0.985235, 0.000000, 0.000000, 0.014765 }, 4.169466e+01, 2.786538e+01, 1.161838e+03 }, - { 1.000000e+05, 2.981500e+02, { 0.653033, 0.000901, 0.000000, 0.346066 }, 4.049414e+01, 2.463074e+01, 9.974005e+02 }, - { 1.000000e+05, 2.981500e+02, { 0.000506, 0.143046, 0.143326, 0.713122 }, 1.013248e+04, 4.959370e+01, 5.025071e+05 }, - { 1.000000e+05, 2.981500e+02, { 0.582848, 0.000748, 0.000000, 0.416404 }, 4.053125e+01, 2.391430e+01, 9.692764e+02 }, - { 1.000000e+05, 2.981500e+02, { 0.972848, 0.000000, 0.000000, 0.027152 }, 4.036515e+01, 2.774153e+01, 1.119791e+03 }, - { 1.000000e+05, 3.331500e+02, { 0.000000, 0.477146, 0.477164, 0.045691 }, 3.754190e+03, 1.232183e+02, 4.625850e+05 }, - { 1.000000e+05, 3.331500e+02, { 0.210877, 0.008984, 0.000001, 0.780137 }, 3.640845e+01, 2.098792e+01, 7.641376e+02 }, - { 1.000000e+05, 3.331500e+02, { 0.818043, 0.000000, 0.000000, 0.181957 }, 3.614852e+01, 2.619379e+01, 9.468669e+02 }, - { 1.000000e+05, 3.721500e+02, { 0.000000, 0.104818, 0.104822, 0.790360 }, 3.312721e+01, 4.112577e+01, 1.362382e+03 }, - { 1.000000e+05, 3.721500e+02, { 0.000117, 0.356347, 0.549688, 0.093848 }, 3.581375e+03, 1.206090e+02, 4.319462e+05 }, - { 1.013250e+05, 2.771500e+02, { 0.000000, 0.495099, 0.495118, 0.009783 }, 3.733064e+03, 1.271768e+02, 4.747592e+05 }, - { 1.013250e+05, 2.886500e+02, { 0.000516, 0.112950, 0.112994, 0.773540 }, 1.215157e+04, 4.292888e+01, 5.216533e+05 }, - { 1.013250e+05, 2.886500e+02, { 0.780815, 0.000514, 0.000000, 0.218672 }, 4.233123e+01, 2.587101e+01, 1.095152e+03 }, - { 1.013250e+05, 2.886500e+02, { 0.000599, 0.132633, 0.132752, 0.734016 }, 1.081051e+04, 4.727865e+01, 5.111063e+05 }, - { 1.013250e+05, 2.886500e+02, { 0.743752, 0.000426, 0.000000, 0.255823 }, 4.234963e+01, 2.549200e+01, 1.079576e+03 }, - { 1.013250e+05, 2.981500e+02, { 0.000448, 0.114592, 0.114680, 0.770280 }, 1.192251e+04, 4.329570e+01, 5.161936e+05 }, - { 1.013250e+05, 2.981500e+02, { 0.657746, 0.000890, 0.000000, 0.341364 }, 4.103031e+01, 2.467683e+01, 1.012498e+03 }, - { 1.013250e+05, 2.981500e+02, { 0.000516, 0.142463, 0.142736, 0.714285 }, 1.016359e+04, 4.946432e+01, 5.027349e+05 }, - { 1.013250e+05, 3.331500e+02, { 0.000000, 0.477146, 0.477164, 0.045690 }, 3.754193e+03, 1.232184e+02, 4.625856e+05 }, - { 1.013250e+05, 3.331500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.593026e+04, 1.801500e+01, 8.274336e+05 }, - { 1.013250e+05, 3.331500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.593025e+04, 1.801500e+01, 8.274336e+05 }, - { 1.013250e+05, 3.331500e+02, { 0.820407, 0.000000, 0.000000, 0.179593 }, 3.662747e+01, 2.621743e+01, 9.602781e+02 }, - { 1.013250e+05, 3.721500e+02, { 0.080408, 0.000000, 0.000000, 0.919592 }, 3.299996e+01, 1.881892e+01, 6.210236e+02 }, - { 5.000000e+06, 2.771500e+02, { 0.000000, 0.495216, 0.495235, 0.009549 }, 3.742134e+03, 1.272026e+02, 4.760091e+05 }, - { 5.000000e+06, 2.771500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.772799e+04, 1.801500e+01, 8.598197e+05 }, - { 5.000000e+06, 2.771500e+02, { 0.029212, 0.107914, 0.107918, 0.754956 }, 1.264269e+04, 4.210047e+01, 5.322630e+05 }, - { 5.000000e+06, 2.886500e+02, { 0.000000, 0.493093, 0.493111, 0.013796 }, 3.739164e+03, 1.267344e+02, 4.738808e+05 }, - { 5.000000e+06, 2.886500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.739475e+04, 1.801500e+01, 8.538165e+05 }, - { 5.000000e+06, 2.886500e+02, { 0.999549, 0.000000, 0.000000, 0.000451 }, 2.122222e+03, 2.800849e+01, 5.944023e+04 }, - { 5.000000e+06, 2.981500e+02, { 0.000000, 0.490855, 0.490873, 0.018272 }, 3.739300e+03, 1.262410e+02, 4.720529e+05 }, - { 5.000000e+06, 2.981500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.710908e+04, 1.801500e+01, 8.486701e+05 }, - { 5.000000e+06, 2.981500e+02, { 0.030096, 0.107834, 0.107839, 0.754231 }, 1.241638e+04, 4.209177e+01, 5.226274e+05 }, - { 5.000000e+06, 3.331500e+02, { 0.031858, 0.107709, 0.107720, 0.752713 }, 1.198645e+04, 4.208259e+01, 5.044209e+05 }, - { 5.000000e+06, 3.331500e+02, { 0.964491, 0.000264, 0.000000, 0.035245 }, 1.824920e+03, 2.768343e+01, 5.052004e+04 }, - { 5.000000e+06, 3.331500e+02, { 0.035989, 0.120533, 0.120574, 0.722904 }, 1.106526e+04, 4.495504e+01, 4.974394e+05 }, - { 5.000000e+06, 3.331500e+02, { 0.961874, 0.000247, 0.000000, 0.037879 }, 1.826197e+03, 2.765560e+01, 5.050457e+04 }, - { 5.000000e+06, 3.721500e+02, { 0.037408, 0.121753, 0.121923, 0.718916 }, 1.046451e+04, 4.525417e+01, 4.735627e+05 }, - { 5.000000e+06, 3.721500e+02, { 0.889694, 0.001014, 0.000003, 0.109288 }, 1.643713e+03, 2.700817e+01, 4.439368e+04 }, - { 1.000000e+07, 2.771500e+02, { 0.000004, 0.000000, 0.000000, 0.999996 }, 4.775121e+04, 1.801504e+01, 8.602398e+05 }, - { 1.000000e+07, 2.771500e+02, { 0.999835, 0.000000, 0.000000, 0.000165 }, 4.468580e+03, 2.801135e+01, 1.251710e+05 }, - { 1.000000e+07, 2.886500e+02, { 0.000000, 0.493260, 0.493279, 0.013460 }, 3.748279e+03, 1.267714e+02, 4.751745e+05 }, - { 1.000000e+07, 2.886500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.742059e+04, 1.801500e+01, 8.542819e+05 }, - { 1.000000e+07, 2.886500e+02, { 0.055934, 0.104932, 0.104936, 0.734198 }, 1.273695e+04, 4.171005e+01, 5.312588e+05 }, - { 1.000000e+07, 2.981500e+02, { 0.000000, 0.491084, 0.491102, 0.017814 }, 3.748930e+03, 1.262914e+02, 4.734578e+05 }, - { 1.000000e+07, 2.981500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.713720e+04, 1.801500e+01, 8.491766e+05 }, - { 1.000000e+07, 2.981500e+02, { 0.056951, 0.104818, 0.104822, 0.733409 }, 1.263544e+04, 4.169517e+01, 5.268366e+05 }, - { 1.000000e+07, 2.981500e+02, { 0.065451, 0.116299, 0.116311, 0.701940 }, 1.172878e+04, 4.431245e+01, 5.197309e+05 }, - { 1.000000e+07, 2.981500e+02, { 0.991760, 0.000074, 0.000000, 0.008166 }, 4.103168e+03, 2.793775e+01, 1.146333e+05 }, - { 1.000000e+07, 3.331500e+02, { 0.000000, 0.478424, 0.478442, 0.043135 }, 3.777896e+03, 1.235001e+02, 4.665706e+05 }, - { 1.000000e+07, 3.331500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.600669e+04, 1.801500e+01, 8.288105e+05 }, - { 1.000000e+07, 3.331500e+02, { 0.996818, 0.000000, 0.000000, 0.003182 }, 3.589847e+03, 2.798118e+01, 1.004482e+05 }, - { 1.000000e+07, 3.721500e+02, { 0.000000, 0.453197, 0.453215, 0.093588 }, 3.878777e+03, 1.179381e+02, 4.574555e+05 }, - { 1.000000e+08, 2.771500e+02, { 0.000000, 0.496608, 0.496627, 0.006766 }, 3.834889e+03, 1.275094e+02, 4.889844e+05 }, - { 1.000000e+08, 2.886500e+02, { 0.156951, 0.104818, 0.104822, 0.633409 }, 1.310108e+04, 4.269497e+01, 5.593502e+05 }, - { 1.000000e+08, 2.886500e+02, { 0.000031, 0.000000, 0.000000, 0.999969 }, 4.783830e+04, 1.801531e+01, 8.618217e+05 }, - { 1.000000e+08, 2.886500e+02, { 0.999447, 0.000000, 0.000000, 0.000553 }, 2.330195e+04, 2.800748e+01, 6.526287e+05 }, - { 1.000000e+08, 2.981500e+02, { 0.000000, 0.493623, 0.493642, 0.012735 }, 3.840586e+03, 1.268513e+02, 4.871835e+05 }, - { 1.000000e+08, 3.331500e+02, { 0.010000, 0.000000, 0.000000, 0.990000 }, 4.638822e+04, 1.811498e+01, 8.403216e+05 }, - { 1.000000e+08, 3.721500e+02, { 0.156951, 0.104818, 0.104822, 0.633409 }, 1.247160e+04, 4.269497e+01, 5.324747e+05 }, - { 1.000000e+08, 3.721500e+02, { 0.000671, 0.000000, 0.000000, 0.999329 }, 4.538427e+04, 1.802171e+01, 8.179019e+05 }, - { 1.000000e+08, 3.721500e+02, { 0.991955, 0.000000, 0.000000, 0.008045 }, 1.979639e+04, 2.793257e+01, 5.529641e+05 } + { 1.000000e+05, 2.771500e+02, { 0.000000, 0.495099, 0.495118, 0.009783 }, 3.733061e+03, 1.271768e+02, 4.747588e+02 }, + { 1.000000e+05, 2.771500e+02, { 0.000652, 0.128231, 0.128281, 0.742836 }, 1.119134e+04, 4.630013e+01, 5.181608e+02 }, + { 1.000000e+05, 2.771500e+02, { 0.855328, 0.000205, 0.000000, 0.144467 }, 4.348717e+01, 2.658628e+01, 1.156162e+00 }, + { 1.000000e+05, 2.886500e+02, { 0.000507, 0.112984, 0.113029, 0.773480 }, 1.214893e+04, 4.293636e+01, 5.216311e+02 }, + { 1.000000e+05, 2.886500e+02, { 0.777870, 0.000520, 0.000000, 0.221610 }, 4.177763e+01, 2.584219e+01, 1.079625e+00 }, + { 1.000000e+05, 2.886500e+02, { 0.985235, 0.000000, 0.000000, 0.014765 }, 4.169466e+01, 2.786538e+01, 1.161838e+00 }, + { 1.000000e+05, 2.981500e+02, { 0.653033, 0.000901, 0.000000, 0.346066 }, 4.049414e+01, 2.463074e+01, 9.974005e-01 }, + { 1.000000e+05, 2.981500e+02, { 0.000506, 0.143046, 0.143326, 0.713122 }, 1.013248e+04, 4.959370e+01, 5.025071e+02 }, + { 1.000000e+05, 2.981500e+02, { 0.582848, 0.000748, 0.000000, 0.416404 }, 4.053125e+01, 2.391430e+01, 9.692764e-01 }, + { 1.000000e+05, 2.981500e+02, { 0.972848, 0.000000, 0.000000, 0.027152 }, 4.036515e+01, 2.774153e+01, 1.119791e+00 }, + { 1.000000e+05, 3.331500e+02, { 0.000000, 0.477146, 0.477164, 0.045691 }, 3.754190e+03, 1.232183e+02, 4.625850e+02 }, + { 1.000000e+05, 3.331500e+02, { 0.210877, 0.008984, 0.000001, 0.780137 }, 3.640845e+01, 2.098792e+01, 7.641376e-01 }, + { 1.000000e+05, 3.331500e+02, { 0.818043, 0.000000, 0.000000, 0.181957 }, 3.614852e+01, 2.619379e+01, 9.468669e-01 }, + { 1.000000e+05, 3.721500e+02, { 0.000000, 0.104818, 0.104822, 0.790360 }, 3.312721e+01, 4.112577e+01, 1.362382e+00 }, + { 1.000000e+05, 3.721500e+02, { 0.000117, 0.356347, 0.549688, 0.093848 }, 3.581375e+03, 1.206090e+02, 4.319462e+02 }, + { 1.013250e+05, 2.771500e+02, { 0.000000, 0.495099, 0.495118, 0.009783 }, 3.733064e+03, 1.271768e+02, 4.747592e+02 }, + { 1.013250e+05, 2.886500e+02, { 0.000516, 0.112950, 0.112994, 0.773540 }, 1.215157e+04, 4.292888e+01, 5.216533e+02 }, + { 1.013250e+05, 2.886500e+02, { 0.780815, 0.000514, 0.000000, 0.218672 }, 4.233123e+01, 2.587101e+01, 1.095152e+00 }, + { 1.013250e+05, 2.886500e+02, { 0.000599, 0.132633, 0.132752, 0.734016 }, 1.081051e+04, 4.727865e+01, 5.111063e+02 }, + { 1.013250e+05, 2.886500e+02, { 0.743752, 0.000426, 0.000000, 0.255823 }, 4.234963e+01, 2.549200e+01, 1.079576e+00 }, + { 1.013250e+05, 2.981500e+02, { 0.000448, 0.114592, 0.114680, 0.770280 }, 1.192251e+04, 4.329570e+01, 5.161936e+02 }, + { 1.013250e+05, 2.981500e+02, { 0.657746, 0.000890, 0.000000, 0.341364 }, 4.103031e+01, 2.467683e+01, 1.012498e+00 }, + { 1.013250e+05, 2.981500e+02, { 0.000516, 0.142463, 0.142736, 0.714285 }, 1.016359e+04, 4.946432e+01, 5.027349e+02 }, + { 1.013250e+05, 3.331500e+02, { 0.000000, 0.477146, 0.477164, 0.045690 }, 3.754193e+03, 1.232184e+02, 4.625856e+02 }, + { 1.013250e+05, 3.331500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.593026e+04, 1.801500e+01, 8.274336e+02 }, + { 1.013250e+05, 3.331500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.593025e+04, 1.801500e+01, 8.274336e+02 }, + { 1.013250e+05, 3.331500e+02, { 0.820407, 0.000000, 0.000000, 0.179593 }, 3.662747e+01, 2.621743e+01, 9.602781e-01 }, + { 1.013250e+05, 3.721500e+02, { 0.080408, 0.000000, 0.000000, 0.919592 }, 3.299996e+01, 1.881892e+01, 6.210236e-01 }, + { 5.000000e+06, 2.771500e+02, { 0.000000, 0.495216, 0.495235, 0.009549 }, 3.742134e+03, 1.272026e+02, 4.760091e+02 }, + { 5.000000e+06, 2.771500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.772799e+04, 1.801500e+01, 8.598197e+02 }, + { 5.000000e+06, 2.771500e+02, { 0.029212, 0.107914, 0.107918, 0.754956 }, 1.264269e+04, 4.210047e+01, 5.322630e+02 }, + { 5.000000e+06, 2.886500e+02, { 0.000000, 0.493093, 0.493111, 0.013796 }, 3.739164e+03, 1.267344e+02, 4.738808e+02 }, + { 5.000000e+06, 2.886500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.739475e+04, 1.801500e+01, 8.538165e+02 }, + { 5.000000e+06, 2.886500e+02, { 0.999549, 0.000000, 0.000000, 0.000451 }, 2.122222e+03, 2.800849e+01, 5.944023e+01 }, + { 5.000000e+06, 2.981500e+02, { 0.000000, 0.490855, 0.490873, 0.018272 }, 3.739300e+03, 1.262410e+02, 4.720529e+02 }, + { 5.000000e+06, 2.981500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.710908e+04, 1.801500e+01, 8.486701e+02 }, + { 5.000000e+06, 2.981500e+02, { 0.030096, 0.107834, 0.107839, 0.754231 }, 1.241638e+04, 4.209177e+01, 5.226274e+02 }, + { 5.000000e+06, 3.331500e+02, { 0.031858, 0.107709, 0.107720, 0.752713 }, 1.198645e+04, 4.208259e+01, 5.044209e+02 }, + { 5.000000e+06, 3.331500e+02, { 0.964491, 0.000264, 0.000000, 0.035245 }, 1.824920e+03, 2.768343e+01, 5.052004e+01 }, + { 5.000000e+06, 3.331500e+02, { 0.035989, 0.120533, 0.120574, 0.722904 }, 1.106526e+04, 4.495504e+01, 4.974394e+02 }, + { 5.000000e+06, 3.331500e+02, { 0.961874, 0.000247, 0.000000, 0.037879 }, 1.826197e+03, 2.765560e+01, 5.050457e+01 }, + { 5.000000e+06, 3.721500e+02, { 0.037408, 0.121753, 0.121923, 0.718916 }, 1.046451e+04, 4.525417e+01, 4.735627e+02 }, + { 5.000000e+06, 3.721500e+02, { 0.889694, 0.001014, 0.000003, 0.109288 }, 1.643713e+03, 2.700817e+01, 4.439368e+01 }, + { 1.000000e+07, 2.771500e+02, { 0.000004, 0.000000, 0.000000, 0.999996 }, 4.775121e+04, 1.801504e+01, 8.602398e+02 }, + { 1.000000e+07, 2.771500e+02, { 0.999835, 0.000000, 0.000000, 0.000165 }, 4.468580e+03, 2.801135e+01, 1.251710e+02 }, + { 1.000000e+07, 2.886500e+02, { 0.000000, 0.493260, 0.493279, 0.013460 }, 3.748279e+03, 1.267714e+02, 4.751745e+02 }, + { 1.000000e+07, 2.886500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.742059e+04, 1.801500e+01, 8.542819e+02 }, + { 1.000000e+07, 2.886500e+02, { 0.055934, 0.104932, 0.104936, 0.734198 }, 1.273695e+04, 4.171005e+01, 5.312588e+02 }, + { 1.000000e+07, 2.981500e+02, { 0.000000, 0.491084, 0.491102, 0.017814 }, 3.748930e+03, 1.262914e+02, 4.734578e+02 }, + { 1.000000e+07, 2.981500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.713720e+04, 1.801500e+01, 8.491766e+02 }, + { 1.000000e+07, 2.981500e+02, { 0.056951, 0.104818, 0.104822, 0.733409 }, 1.263544e+04, 4.169517e+01, 5.268366e+02 }, + { 1.000000e+07, 2.981500e+02, { 0.065451, 0.116299, 0.116311, 0.701940 }, 1.172878e+04, 4.431245e+01, 5.197309e+02 }, + { 1.000000e+07, 2.981500e+02, { 0.991760, 0.000074, 0.000000, 0.008166 }, 4.103168e+03, 2.793775e+01, 1.146333e+02 }, + { 1.000000e+07, 3.331500e+02, { 0.000000, 0.478424, 0.478442, 0.043135 }, 3.777896e+03, 1.235001e+02, 4.665706e+02 }, + { 1.000000e+07, 3.331500e+02, { 0.000000, 0.000000, 0.000000, 1.000000 }, 4.600669e+04, 1.801500e+01, 8.288105e+02 }, + { 1.000000e+07, 3.331500e+02, { 0.996818, 0.000000, 0.000000, 0.003182 }, 3.589847e+03, 2.798118e+01, 1.004482e+02 }, + { 1.000000e+07, 3.721500e+02, { 0.000000, 0.453197, 0.453215, 0.093588 }, 3.878777e+03, 1.179381e+02, 4.574555e+02 }, + { 1.000000e+08, 2.771500e+02, { 0.000000, 0.496608, 0.496627, 0.006766 }, 3.834889e+03, 1.275094e+02, 4.889844e+02 }, + { 1.000000e+08, 2.886500e+02, { 0.156951, 0.104818, 0.104822, 0.633409 }, 1.310108e+04, 4.269497e+01, 5.593502e+02 }, + { 1.000000e+08, 2.886500e+02, { 0.000031, 0.000000, 0.000000, 0.999969 }, 4.783830e+04, 1.801531e+01, 8.618217e+02 }, + { 1.000000e+08, 2.886500e+02, { 0.999447, 0.000000, 0.000000, 0.000553 }, 2.330195e+04, 2.800748e+01, 6.526287e+02 }, + { 1.000000e+08, 2.981500e+02, { 0.000000, 0.493623, 0.493642, 0.012735 }, 3.840586e+03, 1.268513e+02, 4.871835e+02 }, + { 1.000000e+08, 3.331500e+02, { 0.010000, 0.000000, 0.000000, 0.990000 }, 4.638822e+04, 1.811498e+01, 8.403216e+02 }, + { 1.000000e+08, 3.721500e+02, { 0.156951, 0.104818, 0.104822, 0.633409 }, 1.247160e+04, 4.269497e+01, 5.324747e+02 }, + { 1.000000e+08, 3.721500e+02, { 0.000671, 0.000000, 0.000000, 0.999329 }, 4.538427e+04, 1.802171e+01, 8.179019e+02 }, + { 1.000000e+08, 3.721500e+02, { 0.991955, 0.000000, 0.000000, 0.008045 }, 1.979639e+04, 2.793257e+01, 5.529641e+02 } }; } diff --git a/src/coreComponents/constitutive/unitTests/testCubicEOS.cpp b/src/coreComponents/constitutive/unitTests/testCubicEOS.cpp index e453e225787..82309e58aec 100644 --- a/src/coreComponents/constitutive/unitTests/testCubicEOS.cpp +++ b/src/coreComponents/constitutive/unitTests/testCubicEOS.cpp @@ -53,9 +53,9 @@ TEST( CubicEOSTest, testCubicEOSTwoComponentsSRK ) CubicEOSPhaseModel< SoaveRedlichKwongEOS >:: computeLogFugacityCoefficients( numComps, - pressure, temperature, composition, + pressure, temperature, composition.toSliceConst(), componentProperties, - logFugacityCoefficients ); + logFugacityCoefficients.toSlice() ); checkRelativeError( logFugacityCoefficients[0], expectedLogFugacityCoefficients[0], relTol ); checkRelativeError( logFugacityCoefficients[1], expectedLogFugacityCoefficients[1], relTol ); @@ -72,9 +72,9 @@ TEST( CubicEOSTest, testCubicEOSTwoComponentsSRK ) CubicEOSPhaseModel< SoaveRedlichKwongEOS >:: computeLogFugacityCoefficients( numComps, - pressure, temperature, composition, + pressure, temperature, composition.toSliceConst(), componentProperties, - logFugacityCoefficients ); + logFugacityCoefficients.toSlice() ); checkRelativeError( logFugacityCoefficients[0], expectedLogFugacityCoefficients[0], relTol ); checkRelativeError( logFugacityCoefficients[1], expectedLogFugacityCoefficients[1], relTol ); @@ -91,9 +91,9 @@ TEST( CubicEOSTest, testCubicEOSTwoComponentsSRK ) CubicEOSPhaseModel< SoaveRedlichKwongEOS >:: computeLogFugacityCoefficients( numComps, - pressure, temperature, composition, + pressure, temperature, composition.toSliceConst(), componentProperties, - logFugacityCoefficients ); + logFugacityCoefficients.toSlice() ); checkRelativeError( logFugacityCoefficients[0], expectedLogFugacityCoefficients[0], relTol ); checkRelativeError( logFugacityCoefficients[1], expectedLogFugacityCoefficients[1], relTol ); @@ -110,9 +110,9 @@ TEST( CubicEOSTest, testCubicEOSTwoComponentsSRK ) CubicEOSPhaseModel< SoaveRedlichKwongEOS >:: computeLogFugacityCoefficients( numComps, - pressure, temperature, composition, + pressure, temperature, composition.toSliceConst(), componentProperties, - logFugacityCoefficients ); + logFugacityCoefficients.toSlice() ); checkRelativeError( logFugacityCoefficients[0], expectedLogFugacityCoefficients[0], relTol ); checkRelativeError( logFugacityCoefficients[1], expectedLogFugacityCoefficients[1], relTol ); @@ -149,9 +149,9 @@ TEST( CubicEOSTest, testCubicEOSFourComponentsPR ) CubicEOSPhaseModel< PengRobinsonEOS >:: computeLogFugacityCoefficients( numComps, - pressure, temperature, composition, + pressure, temperature, composition.toSliceConst(), componentProperties, - logFugacityCoefficients ); + logFugacityCoefficients.toSlice() ); checkRelativeError( logFugacityCoefficients[0], expectedLogFugacityCoefficients[0], relTol ); checkRelativeError( logFugacityCoefficients[1], expectedLogFugacityCoefficients[1], relTol ); @@ -174,9 +174,9 @@ TEST( CubicEOSTest, testCubicEOSFourComponentsPR ) CubicEOSPhaseModel< PengRobinsonEOS >:: computeLogFugacityCoefficients( numComps, - pressure, temperature, composition, + pressure, temperature, composition.toSliceConst(), componentProperties, - logFugacityCoefficients ); + logFugacityCoefficients.toSlice() ); checkRelativeError( logFugacityCoefficients[0], expectedLogFugacityCoefficients[0], relTol ); checkRelativeError( logFugacityCoefficients[1], expectedLogFugacityCoefficients[1], relTol ); @@ -199,9 +199,9 @@ TEST( CubicEOSTest, testCubicEOSFourComponentsPR ) CubicEOSPhaseModel< PengRobinsonEOS >:: computeLogFugacityCoefficients( numComps, - pressure, temperature, composition, + pressure, temperature, composition.toSliceConst(), componentProperties, - logFugacityCoefficients ); + logFugacityCoefficients.toSlice() ); checkRelativeError( logFugacityCoefficients[0], expectedLogFugacityCoefficients[0], relTol ); checkRelativeError( logFugacityCoefficients[1], expectedLogFugacityCoefficients[1], relTol ); @@ -240,9 +240,9 @@ TEST( CubicEOSTest, testCubicEOSFourComponentsSRK ) CubicEOSPhaseModel< SoaveRedlichKwongEOS >:: computeLogFugacityCoefficients( numComps, - pressure, temperature, composition, + pressure, temperature, composition.toSliceConst(), componentProperties, - logFugacityCoefficients ); + logFugacityCoefficients.toSlice() ); checkRelativeError( logFugacityCoefficients[0], expectedLogFugacityCoefficients[0], relTol ); checkRelativeError( logFugacityCoefficients[1], expectedLogFugacityCoefficients[1], relTol ); @@ -265,9 +265,9 @@ TEST( CubicEOSTest, testCubicEOSFourComponentsSRK ) CubicEOSPhaseModel< SoaveRedlichKwongEOS >:: computeLogFugacityCoefficients( numComps, - pressure, temperature, composition, + pressure, temperature, composition.toSliceConst(), componentProperties, - logFugacityCoefficients ); + logFugacityCoefficients.toSlice() ); checkRelativeError( logFugacityCoefficients[0], expectedLogFugacityCoefficients[0], relTol ); checkRelativeError( logFugacityCoefficients[1], expectedLogFugacityCoefficients[1], relTol ); @@ -290,15 +290,14 @@ TEST( CubicEOSTest, testCubicEOSFourComponentsSRK ) CubicEOSPhaseModel< SoaveRedlichKwongEOS >:: computeLogFugacityCoefficients( numComps, - pressure, temperature, composition, + pressure, temperature, composition.toSliceConst(), componentProperties, - logFugacityCoefficients ); + logFugacityCoefficients.toSlice() ); checkRelativeError( logFugacityCoefficients[0], expectedLogFugacityCoefficients[0], relTol ); checkRelativeError( logFugacityCoefficients[1], expectedLogFugacityCoefficients[1], relTol ); checkRelativeError( logFugacityCoefficients[2], expectedLogFugacityCoefficients[2], relTol ); checkRelativeError( logFugacityCoefficients[3], expectedLogFugacityCoefficients[3], relTol ); - } // ----------------------------------------------------------------- @@ -352,6 +351,8 @@ class DerivativeTestFixture : public ::testing::TestWithParam< TestData< NC > > { public: static constexpr integer numComps = NC; + static constexpr integer numDof = NC + 2; + using Deriv = geos::constitutive::multifluid::DerivativeOffset; using ParamType = std::tuple< real64 const, real64 const, Feed< NC > const >; public: DerivativeTestFixture(); @@ -384,23 +385,21 @@ class MixCoeffDerivativeTestFixture : public DerivativeTestFixture< EOS, NC > { public: using DerivativeTestFixture< EOS, NC >::numComps; + using DerivativeTestFixture< EOS, NC >::numDof; + using Deriv = typename DerivativeTestFixture< EOS, NC >::Deriv; using ParamType = typename DerivativeTestFixture< EOS, NC >::ParamType; public: void testNumericalDerivatives( ParamType const & testData ) const { auto componentProperties = this->m_fluid->createKernelWrapper(); - array1d< real64 > aPureCoefficient( numComps ); - array1d< real64 > bPureCoefficient( numComps ); + stackArray1d< real64, numComps > aPureCoefficient( numComps ); + stackArray1d< real64, numComps > bPureCoefficient( numComps ); - real64 daMixtureCoefficient_dp = 0.0; - real64 dbMixtureCoefficient_dp = 0.0; - real64 daMixtureCoefficient_dt = 0.0; - real64 dbMixtureCoefficient_dt = 0.0; - array1d< real64 > daMixtureCoefficient_dz( numComps ); - array1d< real64 > dbMixtureCoefficient_dz( numComps ); + stackArray1d< real64, numDof > aMixtureCoefficientDerivs( numDof ); + stackArray1d< real64, numDof > bMixtureCoefficientDerivs( numDof ); - array1d< real64 > composition; + stackArray1d< real64, numComps > composition; real64 const pressure = std::get< 0 >( testData ); real64 const temperature = std::get< 1 >( testData ); TestFluid< NC >::createArray( composition, std::get< 2 >( testData )); @@ -410,10 +409,10 @@ class MixCoeffDerivativeTestFixture : public DerivativeTestFixture< EOS, NC > real64 b = 0.0; CubicEOSPhaseModel< EOS >::computeMixtureCoefficients( numComps, - p, t, zmf, + p, t, zmf.toSliceConst(), componentProperties, - aPureCoefficient, - bPureCoefficient, + aPureCoefficient.toSlice(), + bPureCoefficient.toSlice(), a, b ); return {a, b}; @@ -427,29 +426,25 @@ class MixCoeffDerivativeTestFixture : public DerivativeTestFixture< EOS, NC > numComps, pressure, temperature, - composition, + composition.toSliceConst(), componentProperties, - aPureCoefficient, - bPureCoefficient, + aPureCoefficient.toSlice(), + bPureCoefficient.toSlice(), aMixtureCoefficient, bMixtureCoefficient, - daMixtureCoefficient_dp, - dbMixtureCoefficient_dp, - daMixtureCoefficient_dt, - dbMixtureCoefficient_dt, - daMixtureCoefficient_dz, - dbMixtureCoefficient_dz ); + aMixtureCoefficientDerivs.toSlice(), + bMixtureCoefficientDerivs.toSlice() ); // Compare against numerical derivatives // -- Pressure derivative real64 const dp = 1.0e-4 * pressure; geos::testing::internal::testNumericalDerivative( - pressure, dp, daMixtureCoefficient_dp, + pressure, dp, aMixtureCoefficientDerivs[Deriv::dP], [&]( real64 const p ) -> real64 { return computeCoefficients( p, temperature, composition ).first; } ); geos::testing::internal::testNumericalDerivative( - pressure, dp, dbMixtureCoefficient_dp, + pressure, dp, bMixtureCoefficientDerivs[Deriv::dP], [&]( real64 const p ) -> real64 { return computeCoefficients( p, temperature, composition ).second; } ); @@ -457,12 +452,12 @@ class MixCoeffDerivativeTestFixture : public DerivativeTestFixture< EOS, NC > // -- Temperature derivative real64 const dT = 1.0e-6 * temperature; geos::testing::internal::testNumericalDerivative( - temperature, dT, daMixtureCoefficient_dt, + temperature, dT, aMixtureCoefficientDerivs[Deriv::dT], [&]( real64 const t ) -> real64 { return computeCoefficients( pressure, t, composition ).first; } ); geos::testing::internal::testNumericalDerivative( - temperature, dT, dbMixtureCoefficient_dt, + temperature, dT, bMixtureCoefficientDerivs[Deriv::dT], [&]( real64 const t ) -> real64 { return computeCoefficients( pressure, t, composition ).second; } ); @@ -478,12 +473,12 @@ class MixCoeffDerivativeTestFixture : public DerivativeTestFixture< EOS, NC > return coefficients; }; geos::testing::internal::testNumericalDerivative( - 0.0, dz, daMixtureCoefficient_dz[ic], + 0.0, dz, aMixtureCoefficientDerivs[Deriv::dC+ic], [&]( real64 const z ) -> real64 { return computeComponentCoefficients( z ).first; } ); geos::testing::internal::testNumericalDerivative( - 0.0, dz, dbMixtureCoefficient_dz[ic], + 0.0, dz, bMixtureCoefficientDerivs[Deriv::dC+ic], [&]( real64 const z ) -> real64 { return computeComponentCoefficients( z ).second; } ); @@ -543,6 +538,8 @@ class CompressibilityDerivativeTestFixture : public DerivativeTestFixture< EOS, { public: using DerivativeTestFixture< EOS, NC >::numComps; + using DerivativeTestFixture< EOS, NC >::numDof; + using Deriv = typename DerivativeTestFixture< EOS, NC >::Deriv; using ParamType = typename DerivativeTestFixture< EOS, NC >::ParamType; public: void testNumericalDerivatives( ParamType const & testData ) const @@ -550,22 +547,16 @@ class CompressibilityDerivativeTestFixture : public DerivativeTestFixture< EOS, auto const componentProperties = this->m_fluid->createKernelWrapper(); auto const binaryInteractionCoefficients = componentProperties.m_componentBinaryCoeff; - array1d< real64 > aPureCoefficient( numComps ); - array1d< real64 > bPureCoefficient( numComps ); + stackArray1d< real64, numComps > aPureCoefficient( numComps ); + stackArray1d< real64, numComps > bPureCoefficient( numComps ); real64 aMixtureCoefficient = 0.0; real64 bMixtureCoefficient = 0.0; - real64 daMixtureCoefficient_dp = 0.0; - real64 dbMixtureCoefficient_dp = 0.0; - real64 daMixtureCoefficient_dt = 0.0; - real64 dbMixtureCoefficient_dt = 0.0; - array1d< real64 > daMixtureCoefficient_dz( numComps ); - array1d< real64 > dbMixtureCoefficient_dz( numComps ); - - real64 dCompressibilityFactor_dp = 0.0; - real64 dCompressibilityFactor_dt = 0.0; - array1d< real64 > dCompressibilityFactor_dz( numComps ); - - array1d< real64 > composition; + stackArray1d< real64, numDof > aMixtureCoefficientDerivs( numDof ); + stackArray1d< real64, numDof > bMixtureCoefficientDerivs( numDof ); + + stackArray1d< real64, numDof > compressibilityFactorDerivs( numDof ); + + stackArray1d< real64, numComps > composition; real64 const pressure = std::get< 0 >( testData ); real64 const temperature = std::get< 1 >( testData ); TestFluid< NC >::createArray( composition, std::get< 2 >( testData )); @@ -574,18 +565,18 @@ class CompressibilityDerivativeTestFixture : public DerivativeTestFixture< EOS, real64 z = 0.0; CubicEOSPhaseModel< EOS >::computeMixtureCoefficients( numComps, - p, t, zmf, + p, t, zmf.toSliceConst(), componentProperties, - aPureCoefficient, - bPureCoefficient, + aPureCoefficient.toSlice(), + bPureCoefficient.toSlice(), aMixtureCoefficient, bMixtureCoefficient ); CubicEOSPhaseModel< EOS >::computeCompressibilityFactor( numComps, - zmf, + zmf.toSliceConst(), binaryInteractionCoefficients, - aPureCoefficient, - bPureCoefficient, + aPureCoefficient.toSliceConst(), + bPureCoefficient.toSliceConst(), aMixtureCoefficient, bMixtureCoefficient, z ); @@ -600,38 +591,28 @@ class CompressibilityDerivativeTestFixture : public DerivativeTestFixture< EOS, numComps, pressure, temperature, - composition, + composition.toSliceConst(), componentProperties, - aPureCoefficient, - bPureCoefficient, + aPureCoefficient.toSliceConst(), + bPureCoefficient.toSliceConst(), aMixtureCoefficient, bMixtureCoefficient, - daMixtureCoefficient_dp, - dbMixtureCoefficient_dp, - daMixtureCoefficient_dt, - dbMixtureCoefficient_dt, - daMixtureCoefficient_dz, - dbMixtureCoefficient_dz ); + aMixtureCoefficientDerivs.toSlice(), + bMixtureCoefficientDerivs.toSlice() ); CubicEOSPhaseModel< EOS >::computeCompressibilityFactor( numComps, aMixtureCoefficient, bMixtureCoefficient, compressibilityFactor, - daMixtureCoefficient_dp, - dbMixtureCoefficient_dp, - daMixtureCoefficient_dt, - dbMixtureCoefficient_dt, - daMixtureCoefficient_dz, - dbMixtureCoefficient_dz, - dCompressibilityFactor_dp, - dCompressibilityFactor_dt, - dCompressibilityFactor_dz ); + aMixtureCoefficientDerivs.toSliceConst(), + bMixtureCoefficientDerivs.toSliceConst(), + compressibilityFactorDerivs.toSlice() ); // Compare against numerical derivatives // -- Pressure derivative real64 const dp = 1.0e-4 * pressure; geos::testing::internal::testNumericalDerivative( - pressure, dp, dCompressibilityFactor_dp, + pressure, dp, compressibilityFactorDerivs[Deriv::dP], [&]( real64 const p ) -> real64 { return computeCompressibilityFactor( p, temperature, composition ); } ); @@ -639,7 +620,7 @@ class CompressibilityDerivativeTestFixture : public DerivativeTestFixture< EOS, // -- Temperature derivative real64 const dT = 1.0e-6 * temperature; geos::testing::internal::testNumericalDerivative( - temperature, dT, dCompressibilityFactor_dt, + temperature, dT, compressibilityFactorDerivs[Deriv::dT], [&]( real64 const t ) -> real64 { return computeCompressibilityFactor( pressure, t, composition ); } ); @@ -649,7 +630,7 @@ class CompressibilityDerivativeTestFixture : public DerivativeTestFixture< EOS, for( integer ic = 0; ic < numComps; ++ic ) { geos::testing::internal::testNumericalDerivative( - 0.0, dz, dCompressibilityFactor_dz[ic], + 0.0, dz, compressibilityFactorDerivs[Deriv::dC+ic], [&]( real64 const z ) -> real64 { composition[ic] += z; real64 const compressibility = computeCompressibilityFactor( pressure, temperature, composition ); @@ -705,3 +686,140 @@ INSTANTIATE_TEST_SUITE_P( CompressibilityDerivativeSRK4TestFixture, ::testing::ValuesIn( generateTestData< 4 >()) ); + +template< typename EOS, int NC > +class FugacityDerivativeTestFixture : public DerivativeTestFixture< EOS, NC > +{ +public: + using DerivativeTestFixture< EOS, NC >::numComps; + using DerivativeTestFixture< EOS, NC >::numDof; + using Deriv = typename DerivativeTestFixture< EOS, NC >::Deriv; + using ParamType = typename DerivativeTestFixture< EOS, NC >::ParamType; +public: + void testNumericalDerivatives( ParamType const & testData ) const + { + auto const componentProperties = this->m_fluid->createKernelWrapper(); + + stackArray1d< real64, numComps > logFugacityCoefficients( numComps ); + stackArray2d< real64, numComps *numDof > logFugacityCoefficientDerivs( numComps, numDof ); + + stackArray1d< real64, numComps > composition; + real64 const pressure = std::get< 0 >( testData ); + real64 const temperature = std::get< 1 >( testData ); + TestFluid< NC >::createArray( composition, std::get< 2 >( testData )); + + auto const calculateLogFugacityCoefficients = [&]( integer const ic, real64 const p, real64 const t, auto const & zmf ) -> real64 { + stackArray1d< real64, numComps > displacedLogFugacityCoefficients( numComps ); + CubicEOSPhaseModel< EOS >::computeLogFugacityCoefficients( numComps, + p, + t, + zmf.toSliceConst(), + componentProperties, + displacedLogFugacityCoefficients.toSlice() ); + return displacedLogFugacityCoefficients[ic]; + }; + + // Calculate values + CubicEOSPhaseModel< EOS >::computeLogFugacityCoefficients( numComps, + pressure, + temperature, + composition.toSliceConst(), + componentProperties, + logFugacityCoefficients.toSlice() ); + + // Calculate derivatives + CubicEOSPhaseModel< EOS >::computeLogFugacityCoefficients( numComps, + pressure, + temperature, + composition.toSliceConst(), + componentProperties, + logFugacityCoefficients.toSliceConst(), + logFugacityCoefficientDerivs.toSlice() ); + + // Compare against numerical derivatives + // -- Pressure derivative + real64 const dp = 1.0e-4 * pressure; + for( integer ic = 0; ic < numComps; ++ic ) + { + geos::testing::internal::testNumericalDerivative( + pressure, dp, logFugacityCoefficientDerivs( ic, Deriv::dP ), + [&]( real64 const p ) -> real64 { + return calculateLogFugacityCoefficients( ic, p, temperature, composition ); + } ); + } + + // -- Temperature derivative + real64 const dT = 1.0e-6 * temperature; + for( integer ic = 0; ic < numComps; ++ic ) + { + geos::testing::internal::testNumericalDerivative( + temperature, dT, logFugacityCoefficientDerivs( ic, Deriv::dT ), + [&]( real64 const t ) -> real64 { + return calculateLogFugacityCoefficients( ic, pressure, t, composition ); + } ); + } + + // -- Composition derivatives + real64 const dz = 1.0e-7; + for( integer ic = 0; ic < numComps; ++ic ) + { + for( integer jc = 0; jc < numComps; ++jc ) + { + geos::testing::internal::testNumericalDerivative( + 0.0, dz, logFugacityCoefficientDerivs( ic, Deriv::dC + jc ), + [&]( real64 const z ) -> real64 { + composition[jc] += z; + real64 const logFugacityCoefficient = calculateLogFugacityCoefficients( ic, pressure, temperature, composition ); + composition[jc] -= z; + return logFugacityCoefficient; + }, 1.0e-6 ); + } + } + } +}; + +using FugacityDerivativePR2TestFixture = FugacityDerivativeTestFixture< PengRobinsonEOS, 2 >; +using FugacityDerivativePR4TestFixture = FugacityDerivativeTestFixture< PengRobinsonEOS, 4 >; +using FugacityDerivativeSRK2TestFixture = FugacityDerivativeTestFixture< SoaveRedlichKwongEOS, 2 >; +using FugacityDerivativeSRK4TestFixture = FugacityDerivativeTestFixture< SoaveRedlichKwongEOS, 4 >; + +TEST_P( FugacityDerivativePR2TestFixture, testNumericalDerivatives ) +{ + testNumericalDerivatives( GetParam() ); +} +TEST_P( FugacityDerivativePR4TestFixture, testNumericalDerivatives ) +{ + testNumericalDerivatives( GetParam() ); +} +TEST_P( FugacityDerivativeSRK2TestFixture, testNumericalDerivatives ) +{ + testNumericalDerivatives( GetParam() ); +} +TEST_P( FugacityDerivativeSRK4TestFixture, testNumericalDerivatives ) +{ + testNumericalDerivatives( GetParam() ); +} + +// 2-component fluid test +INSTANTIATE_TEST_SUITE_P( + CubicEOSTest, + FugacityDerivativePR2TestFixture, + ::testing::ValuesIn( generateTestData< 2 >()) + ); +INSTANTIATE_TEST_SUITE_P( + CubicEOSTest, + FugacityDerivativeSRK2TestFixture, + ::testing::ValuesIn( generateTestData< 2 >()) + ); + +// 4-component fluid test +INSTANTIATE_TEST_SUITE_P( + CubicEOSTest, + FugacityDerivativePR4TestFixture, + ::testing::ValuesIn( generateTestData< 4 >()) + ); +INSTANTIATE_TEST_SUITE_P( + CubicEOSTest, + FugacityDerivativeSRK4TestFixture, + ::testing::ValuesIn( generateTestData< 4 >()) + ); diff --git a/src/coreComponents/constitutive/unitTests/testKValueInitialization.cpp b/src/coreComponents/constitutive/unitTests/testKValueInitialization.cpp index de5548fd714..30719f0eff7 100644 --- a/src/coreComponents/constitutive/unitTests/testKValueInitialization.cpp +++ b/src/coreComponents/constitutive/unitTests/testKValueInitialization.cpp @@ -56,13 +56,13 @@ class WilsonKValueInitializationTestFixture : integer const compIndex = std::get< 2 >( GetParam() ); real64 const expectedKValue = std::get< 3 >( GetParam() ); - array1d< real64 > kValues( numComps ); + stackArray1d< real64, NC > kValues( numComps ); KValueInitialization::computeWilsonGasLiquidKvalue( numComps, pressure, temperature, createKernelWrapper(), - kValues ); + kValues.toSlice() ); ASSERT_EQ( kValues.size(), NC ); checkRelativeError( expectedKValue, kValues[compIndex], relTol ); diff --git a/src/coreComponents/constitutive/unitTests/testLohrenzBrayClarkViscosity.cpp b/src/coreComponents/constitutive/unitTests/testLohrenzBrayClarkViscosity.cpp new file mode 100644 index 00000000000..d956071bb5b --- /dev/null +++ b/src/coreComponents/constitutive/unitTests/testLohrenzBrayClarkViscosity.cpp @@ -0,0 +1,277 @@ +/* + * ------------------------------------------------------------------------------------------------------------ + * SPDX-License-Identifier: LGPL-2.1-only + * + * Copyright (c) 2018-2020 Lawrence Livermore National Security LLC + * Copyright (c) 2018-2020 The Board of Trustees of the Leland Stanford Junior University + * Copyright (c) 2018-2020 TotalEnergies + * Copyright (c) 2019- GEOSX Contributors + * All rights reserved + * + * See top level LICENSE, COPYRIGHT, CONTRIBUTORS, NOTICE, and ACKNOWLEDGEMENTS files for details. + * ------------------------------------------------------------------------------------------------------------ + */ + +// Source includes +#include "codingUtilities/UnitTestUtilities.hpp" +#include "constitutive/fluid/multifluid/compositional/functions/CubicEOSPhaseModel.hpp" +#include "constitutive/fluid/multifluid/compositional/models/CompositionalDensity.hpp" +#include "constitutive/fluid/multifluid/compositional/models/LohrenzBrayClarkViscosity.hpp" +#include "TestFluid.hpp" +#include "TestFluidUtilities.hpp" + +using namespace geos::constitutive::compositional; + +namespace geos +{ +namespace testing +{ + +template< int NC > +using ViscosityData = std::tuple< + integer const, // Mixing type + real64 const, // pressure + real64 const, // temperature + Feed< NC > const, // phase composition + real64 const // expected viscosity + >; + +template< int NC > +struct FluidData {}; + +template<> +struct FluidData< 9 > +{ + static std::unique_ptr< TestFluid< 9 > > createFluid() + { + auto fluid = TestFluid< 9 >::create( {Fluid::H2O, Fluid::CO2, Fluid::N2, Fluid::C5, Fluid::C2, Fluid::C3, Fluid::C4, Fluid::C5, Fluid::C10} ); + const std::array< real64 const, 36 > bics = { + 0.01, 0, 0.003732, 0, 0.01, 0, 0, 0.01, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0.01, 0, 0.028, 0.01, 0.01, 0, 0, 0.01, 0, 0.04532, 0.01, 0.01, 0, 0, 0 + }; + fluid->setBinaryCoefficients( bics ); + return fluid; + } +}; + +template< int NC > +class LohrenzBrayClarkViscosityTestFixture : public ::testing::TestWithParam< ViscosityData< NC > > +{ + static constexpr real64 relTol = 1.0e-5; + static constexpr real64 absTol = 1.0e-7; + static constexpr int numComps = NC; + static constexpr int numDofs = NC + 2; + using Deriv = geos::constitutive::multifluid::DerivativeOffset; +public: + LohrenzBrayClarkViscosityTestFixture() + : m_fluid( FluidData< NC >::createFluid() ) + { + ComponentProperties const & componentProperties = this->m_fluid->getComponentProperties(); + m_density = std::make_unique< CompositionalDensity< CubicEOSPhaseModel< PengRobinsonEOS > > >( "PhaseDensity", componentProperties ); + m_viscosity = std::make_unique< LohrenzBrayClarkViscosity >( "PhaseViscosity", componentProperties ); + } + + ~LohrenzBrayClarkViscosityTestFixture() = default; + + void testViscosity( ViscosityData< NC > const & data ) + { + auto const mixing_type = static_cast< LohrenzBrayClarkViscosityUpdate::MixingType >(std::get< 0 >( data )); + real64 const pressure = std::get< 1 >( data ); + real64 const temperature = std::get< 2 >( data ); + stackArray1d< real64, numComps > phaseComposition; + TestFluid< NC >::createArray( phaseComposition, std::get< 3 >( data )); + real64 const expectedViscosity = std::get< 4 >( data ); + + real64 molarDensity = 0.0; + real64 massDensity = 0.0; + real64 viscosity = 0.0; + stackArray1d< real64, numDofs > tempDerivs( numDofs ); + + auto componentProperties = m_fluid->createKernelWrapper(); + auto densityKernelWrapper = m_density->createKernelWrapper(); + auto viscosityKernelWrapper = m_viscosity->createKernelWrapper(); + + viscosityKernelWrapper.setMixingType( mixing_type ); + + densityKernelWrapper.compute( componentProperties, + pressure, + temperature, + phaseComposition.toSliceConst(), + molarDensity, + tempDerivs.toSlice(), + massDensity, + tempDerivs.toSlice(), + false ); + + viscosityKernelWrapper.compute( componentProperties, + pressure, + temperature, + phaseComposition.toSliceConst(), + massDensity, + tempDerivs.toSliceConst(), + viscosity, + tempDerivs.toSlice(), + false ); + + checkRelativeError( viscosity, expectedViscosity, relTol, absTol ); + } + + void testViscosityDerivatives( ViscosityData< NC > const & data ) + { + auto const mixing_type = static_cast< LohrenzBrayClarkViscosityUpdate::MixingType >(std::get< 0 >( data )); + real64 const pressure = std::get< 1 >( data ); + real64 const temperature = std::get< 2 >( data ); + stackArray1d< real64, numComps > phaseComposition; + TestFluid< NC >::createArray( phaseComposition, std::get< 3 >( data )); + + auto componentProperties = m_fluid->createKernelWrapper(); + auto densityKernelWrapper = m_density->createKernelWrapper(); + auto viscosityKernelWrapper = m_viscosity->createKernelWrapper(); + + viscosityKernelWrapper.setMixingType( mixing_type ); + + real64 molarDensity = 0.0; + real64 massDensity = 0.0; + real64 viscosity = 0.0; + stackArray1d< real64, numDofs > molarDensityDerivs( numDofs ); + stackArray1d< real64, numDofs > massDensityDerivs( numDofs ); + stackArray1d< real64, numDofs > viscosityDerivs( numDofs ); + + densityKernelWrapper.compute( componentProperties, + pressure, + temperature, + phaseComposition.toSliceConst(), + molarDensity, + molarDensityDerivs.toSlice(), + massDensity, + massDensityDerivs.toSlice(), + false ); + + viscosityKernelWrapper.compute( componentProperties, + pressure, + temperature, + phaseComposition.toSliceConst(), + massDensity, + massDensityDerivs.toSliceConst(), + viscosity, + viscosityDerivs.toSlice(), + false ); + + auto calculateViscosity = [&]( real64 const p, real64 const t, auto const & zmf ) -> real64 { + real64 densityMolar = 0.0; + real64 densityMass = 0.0; + real64 phaseViscosity = 0.0; + stackArray1d< real64, numDofs > tempDerivs( numDofs ); + densityKernelWrapper.compute( componentProperties, p, t, zmf.toSliceConst(), + densityMolar, tempDerivs.toSlice(), densityMass, tempDerivs.toSlice(), false ); + viscosityKernelWrapper.compute( componentProperties, p, t, zmf.toSliceConst(), + densityMass, tempDerivs.toSliceConst(), phaseViscosity, tempDerivs.toSlice(), false ); + return phaseViscosity; + }; + + // Viscosity values are very small so we will inflate the values to avoid false positives due + // to the absolute value check + real64 constexpr scale = 1.0e6; + + // Compare against numerical derivatives + // -- Pressure derivative + real64 const dp = 1.0e-4 * pressure; + internal::testNumericalDerivative( + pressure, dp, scale*viscosityDerivs[Deriv::dP], + [&]( real64 const p ) -> real64 { + return scale*calculateViscosity( p, temperature, phaseComposition ); + } ); + + // -- Temperature derivative + real64 const dT = 1.0e-6 * temperature; + internal::testNumericalDerivative( + temperature, dT, scale*viscosityDerivs[Deriv::dT], + [&]( real64 const t ) -> real64 { + return scale*calculateViscosity( pressure, t, phaseComposition ); + } ); + + // -- Composition derivatives derivative + real64 const dz = 1.0e-7; + for( integer ic = 0; ic < 1; ++ic ) + { + internal::testNumericalDerivative( + 0.0, dz, scale*viscosityDerivs[Deriv::dC + ic], + [&]( real64 const z ) -> real64 { + stackArray1d< real64, numComps > zmf( numComps ); + for( integer jc = 0; jc < numComps; ++jc ) + { + zmf[jc] = phaseComposition[jc]; + } + zmf[ic] += z; + return scale*calculateViscosity( pressure, temperature, zmf ); + } ); + } + } + +protected: + std::unique_ptr< TestFluid< NC > > m_fluid{}; + std::unique_ptr< CompositionalDensity< CubicEOSPhaseModel< PengRobinsonEOS > > > m_density{}; + std::unique_ptr< LohrenzBrayClarkViscosity > m_viscosity{}; +}; + +using LohrenzBrayClarkViscosity9 = LohrenzBrayClarkViscosityTestFixture< 9 >; + +TEST_P( LohrenzBrayClarkViscosity9, testViscosity ) +{ + testViscosity( GetParam() ); +} + +TEST_P( LohrenzBrayClarkViscosity9, testViscosityDerivatives ) +{ + testViscosityDerivatives( GetParam() ); +} + +//------------------------------------------------------------------------------- +// Data generated by PVTPackage +//------------------------------------------------------------------------------- +INSTANTIATE_TEST_SUITE_P( + LohrenzBrayClarkViscosity, + LohrenzBrayClarkViscosity9, + ::testing::ValuesIn( { + ViscosityData< 9 >{ 0, 1.839590e+06, 2.971500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1.041140e-04 }, + ViscosityData< 9 >{ 1, 1.839590e+06, 2.971500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1.001152e-04 }, + ViscosityData< 9 >{ 2, 1.839590e+06, 2.971500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1.064158e-04 }, + ViscosityData< 9 >{ 0, 1.839590e+06, 2.971500e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 1.761220e-05 }, + ViscosityData< 9 >{ 1, 1.839590e+06, 2.971500e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 1.659626e-05 }, + ViscosityData< 9 >{ 2, 1.839590e+06, 2.971500e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 1.844604e-05 }, + ViscosityData< 9 >{ 0, 1.839590e+06, 2.971500e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 1.062011e-04 }, + ViscosityData< 9 >{ 1, 1.839590e+06, 2.971500e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 1.021978e-04 }, + ViscosityData< 9 >{ 2, 1.839590e+06, 2.971500e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 1.085108e-04 }, + ViscosityData< 9 >{ 0, 1.839590e+06, 3.630000e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1.681288e-05 }, + ViscosityData< 9 >{ 1, 1.839590e+06, 3.630000e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1.230528e-05 }, + ViscosityData< 9 >{ 2, 1.839590e+06, 3.630000e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1.959149e-05 }, + ViscosityData< 9 >{ 0, 1.839590e+06, 3.630000e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 2.033595e-05 }, + ViscosityData< 9 >{ 1, 1.839590e+06, 3.630000e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 1.923634e-05 }, + ViscosityData< 9 >{ 2, 1.839590e+06, 3.630000e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 2.133312e-05 }, + ViscosityData< 9 >{ 0, 1.839590e+06, 3.630000e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 1.681118e-05 }, + ViscosityData< 9 >{ 1, 1.839590e+06, 3.630000e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 1.229779e-05 }, + ViscosityData< 9 >{ 2, 1.839590e+06, 3.630000e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 1.959939e-05 }, + ViscosityData< 9 >{ 0, 1.839590e+08, 2.971500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 6.123583e-04 }, + ViscosityData< 9 >{ 1, 1.839590e+08, 2.971500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 6.083595e-04 }, + ViscosityData< 9 >{ 2, 1.839590e+08, 2.971500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 6.146601e-04 }, + ViscosityData< 9 >{ 0, 1.839590e+08, 2.971500e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 1.451048e-04 }, + ViscosityData< 9 >{ 1, 1.839590e+08, 2.971500e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 1.440889e-04 }, + ViscosityData< 9 >{ 2, 1.839590e+08, 2.971500e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 1.459387e-04 }, + ViscosityData< 9 >{ 0, 1.839590e+08, 2.971500e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 6.170310e-04 }, + ViscosityData< 9 >{ 1, 1.839590e+08, 2.971500e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 6.130277e-04 }, + ViscosityData< 9 >{ 2, 1.839590e+08, 2.971500e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 6.193407e-04 }, + ViscosityData< 9 >{ 0, 1.839590e+08, 3.630000e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 4.720985e-04 }, + ViscosityData< 9 >{ 1, 1.839590e+08, 3.630000e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 4.675909e-04 }, + ViscosityData< 9 >{ 2, 1.839590e+08, 3.630000e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 4.748771e-04 }, + ViscosityData< 9 >{ 0, 1.839590e+08, 3.630000e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 1.078437e-04 }, + ViscosityData< 9 >{ 1, 1.839590e+08, 3.630000e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 1.067441e-04 }, + ViscosityData< 9 >{ 2, 1.839590e+08, 3.630000e+02, {0.008260, 0.005440, 0.770320, 0.104560, 0.061770, 0.024590, 0.008840, 0.004720, 0.011490}, 1.088409e-04 }, + ViscosityData< 9 >{ 0, 1.839590e+08, 3.630000e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 4.763030e-04 }, + ViscosityData< 9 >{ 1, 1.839590e+08, 3.630000e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 4.717896e-04 }, + ViscosityData< 9 >{ 2, 1.839590e+08, 3.630000e+02, {0.008990, 0.002990, 0.532810, 0.114470, 0.087910, 0.045660, 0.020950, 0.015160, 0.171070}, 4.790912e-04 } + } ) + ); + +} // testing + +} // geos diff --git a/src/coreComponents/constitutive/unitTests/testNegativeTwoPhaseFlash.cpp b/src/coreComponents/constitutive/unitTests/testNegativeTwoPhaseFlash.cpp index bfc074c578d..6dfc1929eb1 100644 --- a/src/coreComponents/constitutive/unitTests/testNegativeTwoPhaseFlash.cpp +++ b/src/coreComponents/constitutive/unitTests/testNegativeTwoPhaseFlash.cpp @@ -17,6 +17,7 @@ #include "constitutive/fluid/multifluid/compositional/functions/NegativeTwoPhaseFlash.hpp" #include "constitutive/fluid/multifluid/compositional/functions/CubicEOSPhaseModel.hpp" #include "TestFluid.hpp" +#include "TestFluidUtilities.hpp" using namespace geos::constitutive::compositional; @@ -64,6 +65,8 @@ class NegativeTwoPhaseFlashTestFixture : public ::testing::TestWithParam< Flash static constexpr real64 relTol = 1.0e-5; static constexpr real64 absTol = 1.0e-7; static constexpr int numComps = NC; + static constexpr int numDofs = NC + 2; + using Deriv = geos::constitutive::multifluid::DerivativeOffset; public: NegativeTwoPhaseFlashTestFixture() : m_fluid( FluidData< NC >::createFluid() ) @@ -77,30 +80,33 @@ class NegativeTwoPhaseFlashTestFixture : public ::testing::TestWithParam< Flash real64 const pressure = std::get< 0 >( data ); real64 const temperature = std::get< 1 >( data ); - array1d< real64 > composition; + stackArray1d< real64, numComps > composition; TestFluid< NC >::createArray( composition, std::get< 2 >( data )); bool const expectedStatus = std::get< 3 >( data ); real64 const expectedVapourFraction = std::get< 4 >( data ); - stackArray1d< real64, NC > expectedLiquidComposition; + stackArray1d< real64, numComps > expectedLiquidComposition; TestFluid< NC >::createArray( expectedLiquidComposition, std::get< 5 >( data )); - stackArray1d< real64, NC > expectedVapourComposition; + stackArray1d< real64, numComps > expectedVapourComposition; TestFluid< NC >::createArray( expectedVapourComposition, std::get< 6 >( data )); real64 vapourFraction = -1.0; - array1d< real64 > liquidComposition( numComps ); - array1d< real64 > vapourComposition( numComps ); + stackArray1d< real64, numComps > liquidComposition( numComps ); + stackArray1d< real64, numComps > vapourComposition( numComps ); + stackArray2d< real64, numComps > kValues( 1, numComps ); + kValues.zero(); bool status = NegativeTwoPhaseFlash::compute< EOS_TYPE, EOS_TYPE >( numComps, pressure, temperature, - composition, + composition.toSliceConst(), componentProperties, + kValues.toSlice(), vapourFraction, - liquidComposition, - vapourComposition ); + liquidComposition.toSlice(), + vapourComposition.toSlice() ); // Check the flash success result ASSERT_EQ( expectedStatus, status ); @@ -132,6 +138,126 @@ class NegativeTwoPhaseFlashTestFixture : public ::testing::TestWithParam< Flash } } + void testFlashDerivatives( FlashData< NC > const & data ) + { + // Number of output values from each flash calculation + constexpr integer numValues = 1 + 2*numComps; + + auto componentProperties = this->m_fluid->createKernelWrapper(); + + bool const expectedStatus = std::get< 3 >( data ); + if( !expectedStatus ) return; + + real64 const pressure = std::get< 0 >( data ); + real64 const temperature = std::get< 1 >( data ); + stackArray1d< real64, numComps > composition; + TestFluid< NC >::createArray( composition, std::get< 2 >( data )); + + real64 vapourFraction = -1.0; + stackArray1d< real64, numComps > liquidComposition( numComps ); + stackArray1d< real64, numComps > vapourComposition( numComps ); + stackArray2d< real64, numComps > kValues( 1, numComps ); + kValues.zero(); + + stackArray1d< real64, numDofs > vapourFractionDerivs( numDofs ); + stackArray2d< real64, numComps * numDofs > liquidCompositionDerivs( numComps, numDofs ); + stackArray2d< real64, numComps * numDofs > vapourCompositionDerivs( numComps, numDofs ); + stackArray1d< real64, numValues > derivatives( numValues ); + + // Combine values and derivatives into a single output + auto const concatDerivatives = []( integer const kc, auto & derivs, auto const & v, auto const & xmf, auto const & ymf ){ + derivs[0] = v[kc]; + for( integer ic = 0; ic < numComps; ++ic ) + { + derivs[1+ic] = xmf( ic, kc ); + derivs[1+ic+numComps] = ymf( ic, kc ); + } + }; + std::cout << std::scientific << std::setprecision( 8 ); + + auto const evaluateFlash = [&]( real64 const p, real64 const t, auto const & zmf, auto & values ){ + stackArray1d< real64, numComps > displacedLiquidComposition( numComps ); + stackArray1d< real64, numComps > displacedVapourComposition( numComps ); + kValues.zero(); + + NegativeTwoPhaseFlash::compute< EOS_TYPE, EOS_TYPE >( + numComps, + p, + t, + zmf.toSliceConst(), + componentProperties, + kValues.toSlice(), + values[0], + displacedLiquidComposition.toSlice(), + displacedVapourComposition.toSlice() ); + for( integer ic = 0; ic < numComps; ++ic ) + { + values[1+ic] = displacedLiquidComposition[ic]; + values[1+ic+numComps] = displacedVapourComposition[ic]; + } + }; + + NegativeTwoPhaseFlash::compute< EOS_TYPE, EOS_TYPE >( + numComps, + pressure, + temperature, + composition.toSliceConst(), + componentProperties, + kValues.toSlice(), + vapourFraction, + liquidComposition.toSlice(), + vapourComposition.toSlice() ); + + NegativeTwoPhaseFlash::computeDerivatives< EOS_TYPE, EOS_TYPE >( + numComps, + pressure, + temperature, + composition.toSliceConst(), + componentProperties, + vapourFraction, + liquidComposition.toSliceConst(), + vapourComposition.toSliceConst(), + vapourFractionDerivs.toSlice(), + liquidCompositionDerivs.toSlice(), + vapourCompositionDerivs.toSlice() ); + + // Test against numerically calculated values + // --- Pressure derivatives --- + concatDerivatives( Deriv::dP, derivatives, vapourFractionDerivs, liquidCompositionDerivs, vapourCompositionDerivs ); + real64 const dp = 1.0e-4 * pressure; + geos::testing::internal::testNumericalDerivative< numValues >( + pressure, dp, derivatives, + [&]( real64 const p, auto & values ) { + evaluateFlash( p, temperature, composition, values ); + } ); + + // --- Temperature derivatives --- + concatDerivatives( Deriv::dT, derivatives, vapourFractionDerivs, liquidCompositionDerivs, vapourCompositionDerivs ); + real64 const dT = 1.0e-6 * temperature; + geos::testing::internal::testNumericalDerivative< numValues >( + temperature, dT, derivatives, + [&]( real64 const t, auto & values ) { + evaluateFlash( pressure, t, composition, values ); + } ); + + // --- Composition derivatives --- + real64 constexpr dz = 1.0e-7; + for( integer jc = 0; jc < numComps; ++jc ) + { + if( composition[jc] < 1.0e-6 ) continue; + integer const kc = Deriv::dC + jc; + concatDerivatives( kc, derivatives, vapourFractionDerivs, liquidCompositionDerivs, vapourCompositionDerivs ); + geos::testing::internal::testNumericalDerivative< numValues >( + 0.0, dz, derivatives, + [&]( real64 const z, auto & values ) { + real64 const originalFraction = composition[jc]; + composition[jc] += z; + evaluateFlash( pressure, temperature, composition, values ); + composition[jc] = originalFraction; + }, relTol, absTol ); + } + } + protected: std::unique_ptr< TestFluid< NC > > m_fluid{}; }; @@ -161,6 +287,26 @@ TEST_P( NegativeTwoPhaseFlash4CompSRK, testNegativeFlash ) testFlash( GetParam() ); } +TEST_P( NegativeTwoPhaseFlash2CompPR, testNegativeFlashDerivatives ) +{ + testFlashDerivatives( GetParam() ); +} + +TEST_P( NegativeTwoPhaseFlash2CompSRK, testNegativeFlashDerivatives ) +{ + testFlashDerivatives( GetParam() ); +} + +TEST_P( NegativeTwoPhaseFlash4CompPR, testNegativeFlashDerivatives ) +{ + testFlashDerivatives( GetParam() ); +} + +TEST_P( NegativeTwoPhaseFlash4CompSRK, testNegativeFlashDerivatives ) +{ + testFlashDerivatives( GetParam() ); +} + //------------------------------------------------------------------------------- // Data generated by PVTPackage //------------------------------------------------------------------------------- @@ -210,10 +356,10 @@ INSTANTIATE_TEST_SUITE_P( FlashData< 2 >( 1.013250e+05, 1.231500e+02, { 0.50000000, 0.50000000 }, true, 0.44681454, { 0.90248098, 0.09751902 }, { 0.00170237, 0.99829763 } ), FlashData< 2 >( 1.013250e+05, 1.231500e+02, { 0.90000000, 0.10000000 }, true, 0.00275426, { 0.90248098, 0.09751902 }, { 0.00170237, 0.99829763 } ), FlashData< 2 >( 1.000000e+06, 1.231500e+02, { 0.10000000, 0.90000000 }, true, 0.00000000, { 0.10000000, 0.90000000 }, { 0.10000000, 0.90000000 } ), - FlashData< 2 >( 1.000000e+06, 1.231500e+02, { 0.50000000, 0.50000000 }, false, 0.00000000, { 0.50000000, 0.50000000 }, { 0.49950202, 0.50049798 } ), + FlashData< 2 >( 1.000000e+06, 1.231500e+02, { 0.50000000, 0.50000000 }, true, 0.00000000, { 0.50000000, 0.50000000 }, { 0.49950202, 0.50049798 } ), FlashData< 2 >( 1.000000e+06, 1.231500e+02, { 0.90000000, 0.10000000 }, true, 0.00000000, { 0.90000000, 0.10000000 }, { 0.90000000, 0.10000000 } ), FlashData< 2 >( 5.000000e+06, 1.231500e+02, { 0.75000000, 0.25000000 }, true, 0.00000000, { 0.75000000, 0.25000000 }, { 0.74999999, 0.25000001 } ), - FlashData< 2 >( 5.000000e+06, 1.231500e+02, { 0.50000000, 0.50000000 }, false, 0.00000000, { 0.50000000, 0.50000000 }, { 0.49979984, 0.50020016 } ), + FlashData< 2 >( 5.000000e+06, 1.231500e+02, { 0.50000000, 0.50000000 }, true, 0.00000000, { 0.50000000, 0.50000000 }, { 0.49979984, 0.50020016 } ), FlashData< 2 >( 5.000000e+06, 1.231500e+02, { 0.90000000, 0.10000000 }, true, 0.00000000, { 0.90000000, 0.10000000 }, { 0.90000000, 0.10000000 } ), FlashData< 2 >( 1.000000e+08, 1.231500e+02, { 0.90000000, 0.10000000 }, true, 0.00000000, { 0.90000000, 0.10000000 }, { 0.90000000, 0.10000000 } ), FlashData< 2 >( 1.000000e+05, 1.931500e+02, { 0.10000000, 0.90000000 }, true, 1.00000000, { 0.10000000, 0.90000000 }, { 0.10000000, 0.90000000 } ), @@ -316,13 +462,13 @@ INSTANTIATE_TEST_SUITE_P( { 0.59975210, 0.00000000, 0.00078842, 0.39945949 } ), FlashData< 4 >( 1.000000e+07, 4.731500e+02, { 0.01000000, 0.00000000, 0.00000000, 0.99000000 }, true, 0.01121076, { 0.00102378, 0.00000000, 0.00000000, 0.99897622 }, { 0.80170284, 0.00000000, 0.00000000, 0.19829716 } ), - FlashData< 4 >( 1.000000e+08, 4.731500e+02, { 0.05695100, 0.10481800, 0.10482200, 0.73340900 }, false, 0.00000000, { 0.05695100, 0.10481800, 0.10482200, 0.73340900 }, + FlashData< 4 >( 1.000000e+08, 4.731500e+02, { 0.05695100, 0.10481800, 0.10482200, 0.73340900 }, true, 0.00000000, { 0.05695100, 0.10481800, 0.10482200, 0.73340900 }, { 0.72438623, 0.02564505, 0.01665696, 0.23331176 } ), - FlashData< 4 >( 1.000000e+08, 4.731500e+02, { 0.15695100, 0.10481800, 0.10482200, 0.63340900 }, false, 0.00000000, { 0.15695100, 0.10481800, 0.10482200, 0.63340900 }, + FlashData< 4 >( 1.000000e+08, 4.731500e+02, { 0.15695100, 0.10481800, 0.10482200, 0.63340900 }, true, 0.00000000, { 0.15695100, 0.10481800, 0.10482200, 0.63340900 }, { 0.73612750, 0.02738195, 0.01777184, 0.21871871 } ), FlashData< 4 >( 1.000000e+08, 4.731500e+02, { 0.00000000, 0.10481800, 0.10482200, 0.79036000 }, true, 0.72801768, { 0.00000000, 0.38538472, 0.38540005, 0.22921523 }, { 0.00000000, 0.00000023, 0.00000000, 0.99999977 } ), - FlashData< 4 >( 1.000000e+08, 4.731500e+02, { 0.10481800, 0.00000000, 0.10482200, 0.79036000 }, false, 0.00000000, { 0.10481800, 0.00000000, 0.10482200, 0.79036000 }, + FlashData< 4 >( 1.000000e+08, 4.731500e+02, { 0.10481800, 0.00000000, 0.10482200, 0.79036000 }, true, 0.00000000, { 0.10481800, 0.00000000, 0.10482200, 0.79036000 }, { 0.74504275, 0.00000000, 0.01613702, 0.23882023 } ) ) ); diff --git a/src/coreComponents/constitutive/unitTests/testNegativeTwoPhaseFlash9Comp.cpp b/src/coreComponents/constitutive/unitTests/testNegativeTwoPhaseFlash9Comp.cpp new file mode 100644 index 00000000000..9e214b56e5b --- /dev/null +++ b/src/coreComponents/constitutive/unitTests/testNegativeTwoPhaseFlash9Comp.cpp @@ -0,0 +1,540 @@ +/* + * ------------------------------------------------------------------------------------------------------------ + * SPDX-License-Identifier: LGPL-2.1-only + * + * Copyright (c) 2018-2020 Lawrence Livermore National Security LLC + * Copyright (c) 2018-2020 The Board of Trustees of the Leland Stanford Junior University + * Copyright (c) 2018-2020 TotalEnergies + * Copyright (c) 2019- GEOSX Contributors + * All rights reserved + * + * See top level LICENSE, COPYRIGHT, CONTRIBUTORS, NOTICE, and ACKNOWLEDGEMENTS files for details. + * ------------------------------------------------------------------------------------------------------------ + */ + +// Source includes +#include "codingUtilities/UnitTestUtilities.hpp" +#include "constitutive/fluid/multifluid/compositional/functions/NegativeTwoPhaseFlash.hpp" +#include "constitutive/fluid/multifluid/compositional/functions/CubicEOSPhaseModel.hpp" +#include "TestFluid.hpp" +#include "TestFluidUtilities.hpp" + +using namespace geos::constitutive::compositional; + +namespace geos +{ +namespace testing +{ + +static constexpr integer numComps = 9; + +using FlashData = std::tuple< + real64 const, // pressure + real64 const, // temperature + Feed< numComps > const, // total composition + int, // expected flash status (success (1)/failure (0)) + real64 const, // expected vapour fraction + Feed< 2 > const, // expected liquid composition (2 selected components) + Feed< 2 > const // expected vapour composition (2 selected components) + >; + +template< typename EOS_TYPE > +class NegativeTwoPhaseFlashTest9CompFixture : public ::testing::TestWithParam< FlashData > +{ + static constexpr real64 relTol = 1.0e-5; + static constexpr real64 absTol = 1.0e-7; + static constexpr int numDofs = numComps + 2; + // Selected components for test + static constexpr int comp0 = 0; + static constexpr int comp1 = numComps-1; + using Deriv = geos::constitutive::multifluid::DerivativeOffset; +public: + NegativeTwoPhaseFlashTest9CompFixture() + : m_fluid( createFluid() ) + {} + + ~NegativeTwoPhaseFlashTest9CompFixture() = default; + + void testFlash( FlashData const & data ) + { + auto componentProperties = this->m_fluid->createKernelWrapper(); + + real64 const pressure = std::get< 0 >( data ); + real64 const temperature = std::get< 1 >( data ); + stackArray1d< real64, numComps > composition; + TestFluid< numComps >::createArray( composition, std::get< 2 >( data )); + + bool const expectedStatus = std::get< 3 >( data ); + real64 const expectedVapourFraction = std::get< 4 >( data ); + + stackArray1d< real64, numComps > expectedLiquidComposition; + stackArray1d< real64, numComps > expectedVapourComposition; + TestFluid< numComps >::createArray( expectedLiquidComposition, std::get< 5 >( data )); + TestFluid< numComps >::createArray( expectedVapourComposition, std::get< 6 >( data )); + + real64 vapourFraction = -1.0; + stackArray1d< real64, numComps > liquidComposition( numComps ); + stackArray1d< real64, numComps > vapourComposition( numComps ); + stackArray2d< real64, numComps > kValues( 1, numComps ); + kValues.zero(); + + bool status = NegativeTwoPhaseFlash::compute< EOS_TYPE, EOS_TYPE >( + numComps, + pressure, + temperature, + composition.toSliceConst(), + componentProperties, + kValues.toSlice(), + vapourFraction, + liquidComposition.toSlice(), + vapourComposition.toSlice() ); + + // Check the flash success result + ASSERT_EQ( expectedStatus, status ); + + if( !expectedStatus ) + { + return; + } + + // Check the vaopur fraction + checkRelativeError( expectedVapourFraction, vapourFraction, relTol, absTol ); + + // Check liquid composition + if( expectedVapourFraction < 1.0 - absTol ) + { + checkRelativeError( expectedLiquidComposition[0], liquidComposition[comp0], relTol, absTol ); + checkRelativeError( expectedLiquidComposition[1], liquidComposition[comp1], relTol, absTol ); + } + + // Check vapour composition + if( absTol < expectedVapourFraction ) + { + checkRelativeError( expectedVapourComposition[0], vapourComposition[comp0], relTol, absTol ); + checkRelativeError( expectedVapourComposition[1], vapourComposition[comp1], relTol, absTol ); + } + } + + void testFlashDerivatives( FlashData const & data ) + { + // Number of output values from each flash calculation + constexpr integer numValues = 1 + 2*numComps; + + auto componentProperties = this->m_fluid->createKernelWrapper(); + + bool const expectedStatus = std::get< 3 >( data ); + if( !expectedStatus ) return; + + real64 const pressure = std::get< 0 >( data ); + real64 const temperature = std::get< 1 >( data ); + stackArray1d< real64, numComps > composition; + TestFluid< numComps >::createArray( composition, std::get< 2 >( data )); + + real64 vapourFraction = -1.0; + stackArray1d< real64, numComps > liquidComposition( numComps ); + stackArray1d< real64, numComps > vapourComposition( numComps ); + stackArray2d< real64, numComps > kValues( 1, numComps ); + kValues.zero(); + + stackArray1d< real64, numDofs > vapourFractionDerivs( numDofs ); + stackArray2d< real64, numComps * numDofs > liquidCompositionDerivs( numComps, numDofs ); + stackArray2d< real64, numComps * numDofs > vapourCompositionDerivs( numComps, numDofs ); + stackArray1d< real64, numValues > derivatives( numValues ); + + // Combine values and derivatives into a single output + auto const concatDerivatives = []( integer const kc, auto & derivs, auto const & v, auto const & xmf, auto const & ymf ){ + derivs[0] = v[kc]; + for( integer ic = 0; ic < numComps; ++ic ) + { + derivs[1+ic] = xmf( ic, kc ); + derivs[1+ic+numComps] = ymf( ic, kc ); + } + }; + + auto const evaluateFlash = [&]( real64 const p, real64 const t, auto const & zmf, auto & values ){ + stackArray1d< real64, numComps > displacedLiquidComposition( numComps ); + stackArray1d< real64, numComps > displacedVapourComposition( numComps ); + + NegativeTwoPhaseFlash::compute< EOS_TYPE, EOS_TYPE >( + numComps, + p, + t, + zmf.toSliceConst(), + componentProperties, + kValues.toSlice(), + values[0], + displacedLiquidComposition.toSlice(), + displacedVapourComposition.toSlice() ); + for( integer ic = 0; ic < numComps; ++ic ) + { + values[1+ic] = displacedLiquidComposition[ic]; + values[1+ic+numComps] = displacedVapourComposition[ic]; + } + }; + + NegativeTwoPhaseFlash::compute< EOS_TYPE, EOS_TYPE >( + numComps, + pressure, + temperature, + composition.toSliceConst(), + componentProperties, + kValues.toSlice(), + vapourFraction, + liquidComposition.toSlice(), + vapourComposition.toSlice() ); + + NegativeTwoPhaseFlash::computeDerivatives< EOS_TYPE, EOS_TYPE >( + numComps, + pressure, + temperature, + composition.toSliceConst(), + componentProperties, + vapourFraction, + liquidComposition.toSliceConst(), + vapourComposition.toSliceConst(), + vapourFractionDerivs.toSlice(), + liquidCompositionDerivs.toSlice(), + vapourCompositionDerivs.toSlice() ); + + // Test against numerically calculated values + // --- Pressure derivatives --- + concatDerivatives( Deriv::dP, derivatives, vapourFractionDerivs, liquidCompositionDerivs, vapourCompositionDerivs ); + real64 const dp = 1.0e-4 * pressure; + geos::testing::internal::testNumericalDerivative< numValues >( + pressure, dp, derivatives, + [&]( real64 const p, auto & values ) { + evaluateFlash( p, temperature, composition, values ); + } ); + + // --- Temperature derivatives --- + concatDerivatives( Deriv::dT, derivatives, vapourFractionDerivs, liquidCompositionDerivs, vapourCompositionDerivs ); + real64 const dT = 1.0e-6 * temperature; + geos::testing::internal::testNumericalDerivative< numValues >( + temperature, dT, derivatives, + [&]( real64 const t, auto & values ) { + evaluateFlash( pressure, t, composition, values ); + } ); + + // --- Composition derivatives --- + real64 constexpr dz = 1.0e-7; + for( integer jc = 0; jc < numComps; ++jc ) + { + if( composition[jc] < 1.0e-6 ) continue; + integer const kc = Deriv::dC + jc; + concatDerivatives( kc, derivatives, vapourFractionDerivs, liquidCompositionDerivs, vapourCompositionDerivs ); + geos::testing::internal::testNumericalDerivative< numValues >( + 0.0, dz, derivatives, + [&]( real64 const z, auto & values ) { + real64 const originalFraction = composition[jc]; + composition[jc] += z; + evaluateFlash( pressure, temperature, composition, values ); + composition[jc] = originalFraction; + }, 10*relTol, 10*absTol ); + } + } + +protected: + std::unique_ptr< TestFluid< numComps > > m_fluid{}; +private: + static std::unique_ptr< TestFluid< numComps > > createFluid(); +}; + +template< typename EOS_TYPE > +std::unique_ptr< TestFluid< numComps > > NegativeTwoPhaseFlashTest9CompFixture< EOS_TYPE >::createFluid() +{ + std::unique_ptr< TestFluid< numComps > > fluid = TestFluid< numComps >::create( {0, 0, 0, 0, 0, 0, 0, 0, 0} ); + // Manually populate + TestFluid< numComps >::populateArray( fluid->criticalPressure, Feed< 9 >{73.8659e5, 33.9439e5, 46.0421e5, 48.8387e5, 42.4552e5, 37.47e5, 33.5892e5, 30.1037e5, 20.549e5} ); + TestFluid< numComps >::populateArray( fluid->criticalTemperature, Feed< 9 >{304.7, 126.2, 190.6, 305.43, 369.8, 419.5, 465.9, 507.5, 678.8} ); + TestFluid< numComps >::populateArray( fluid->criticalVolume, Feed< 9 >{9.3999e-05, 9.0001e-05, 9.7999e-05, 1.4800e-04, 2.0000e-04, 2.5800e-04, 3.1000e-04, 3.5100e-04, 6.8243e-04} ); + TestFluid< numComps >::populateArray( fluid->acentricFactor, Feed< 9 >{0.225, 0.04, 0.013, 0.0986, 0.1524, 0.1956, 0.2413, 0.299, 0.5618} ); + TestFluid< numComps >::populateArray( fluid->molecularWeight, Feed< 9 >{44.01e-3, 28.01e-3, 16.04e-3, 30.07e-3, 44.1e-3, 58.12e-3, 72.15e-3, 84e-3, 173e-3} ); + TestFluid< numComps >::populateArray( fluid->volumeShift, Feed< 9 >{ -0.04958, -0.136012, -0.1486264, -0.10863408, -0.08349872, -0.06331568, -0.04196464, -0.0150072, 0.0000 } ); + fluid->setBinaryCoefficients( Feed< 36 >{ + 1.0000e-02, + 0.0000e+00, 3.7320e-03, + 0.0000e+00, 1.0000e-02, 0.0000e+00, + 0.0000e+00, 1.0000e-02, 0.0000e+00, 0.0000e+00, + 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, + 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, 0.0000e+00, + 1.0000e-02, 0.0000e+00, 2.8000e-02, 1.0000e-02, 1.0000e-02, 0.0000e+00, 0.0000e+00, + 1.0000e-02, 0.0000e+00, 4.5320e-02, 1.0000e-02, 1.0000e-02, 0.0000e+00, 0.0000e+00, 0.0000e+00 + } ); + return fluid; +} + +using NegativeTwoPhaseFlash9CompPR = NegativeTwoPhaseFlashTest9CompFixture< CubicEOSPhaseModel< PengRobinsonEOS > >; +using NegativeTwoPhaseFlash9CompSRK = NegativeTwoPhaseFlashTest9CompFixture< CubicEOSPhaseModel< SoaveRedlichKwongEOS > >; + +TEST_P( NegativeTwoPhaseFlash9CompPR, testNegativeFlash ) +{ + testFlash( GetParam() ); +} + +TEST_P( NegativeTwoPhaseFlash9CompPR, testNegativeFlashDerivatives ) +{ + testFlashDerivatives( GetParam() ); +} + +TEST_P( NegativeTwoPhaseFlash9CompSRK, testNegativeFlash ) +{ + testFlash( GetParam() ); +} + +TEST_P( NegativeTwoPhaseFlash9CompSRK, testNegativeFlashDerivatives ) +{ + testFlashDerivatives( GetParam() ); +} + +//------------------------------------------------------------------------------- +// Data +//------------------------------------------------------------------------------- + +/* UNCRUSTIFY-OFF */ + +INSTANTIATE_TEST_SUITE_P( + NegativeTwoPhaseFlash, + NegativeTwoPhaseFlash9CompPR, + ::testing::Values( + FlashData( 1.000000e+05, 2.781500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+05, 2.781500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.798353, {0.000363, 0.839010}, {0.011181, 0.000020} ), + FlashData( 1.000000e+05, 2.781500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998685, {0.000228, 0.938644}, {0.007035, 0.000022} ), + FlashData( 1.013250e+05, 2.781500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.013250e+05, 2.781500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.798070, {0.000368, 0.837836}, {0.011184, 0.000020} ), + FlashData( 1.013250e+05, 2.781500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998684, {0.000231, 0.937856}, {0.007035, 0.000022} ), + FlashData( 1.000000e+06, 2.781500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+06, 2.781500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.700780, {0.003486, 0.565464}, {0.011355, 0.000003} ), + FlashData( 1.000000e+06, 2.781500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.997643, {0.002159, 0.531971}, {0.007037, 0.000002} ), + FlashData( 1.000000e+07, 2.781500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+07, 2.781500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.349114, {0.010010, 0.259905}, {0.007116, 0.000090} ), + FlashData( 1.000000e+07, 2.781500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.991703, {0.009755, 0.140969}, {0.007003, 0.000087} ), + FlashData( 1.500000e+07, 2.781500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.500000e+07, 2.781500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.176058, {0.009422, 0.205086}, {0.007026, 0.001256} ), + FlashData( 1.500000e+07, 2.781500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.009422, 0.205089}, {0.007026, 0.001256} ), + FlashData( 5.000000e+07, 2.781500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+08, 2.781500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.000000e+05, 2.886500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.001168, {0.000348, 0.839991}, {0.013059, 0.000053} ), + FlashData( 1.000000e+05, 2.886500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.805671, {0.000295, 0.870461}, {0.011100, 0.000055} ), + FlashData( 1.000000e+05, 2.886500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998750, {0.000187, 0.957531}, {0.007035, 0.000059} ), + FlashData( 1.013250e+05, 2.886500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.001057, {0.000350, 0.839898}, {0.012947, 0.000052} ), + FlashData( 1.013250e+05, 2.886500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.805431, {0.000299, 0.869390}, {0.011102, 0.000054} ), + FlashData( 1.013250e+05, 2.886500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998749, {0.000189, 0.956982}, {0.007035, 0.000058} ), + FlashData( 1.000000e+06, 2.886500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+06, 2.886500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.719045, {0.002880, 0.602213}, {0.011391, 0.000007} ), + FlashData( 1.000000e+06, 2.886500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998097, {0.001770, 0.656139}, {0.007036, 0.000007} ), + FlashData( 1.000000e+07, 2.886500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+07, 2.886500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.391974, {0.009806, 0.278198}, {0.007750, 0.000123} ), + FlashData( 1.000000e+07, 2.886500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.994318, {0.008887, 0.201207}, {0.007015, 0.000113} ), + FlashData( 1.500000e+07, 2.886500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.500000e+07, 2.886500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.231493, {0.009474, 0.219807}, {0.007427, 0.001195} ), + FlashData( 1.500000e+07, 2.886500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.999406, {0.009004, 0.228228}, {0.007025, 0.001121} ), + FlashData( 5.000000e+07, 2.886500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+05, 2.981500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.002535, {0.000327, 0.841142}, {0.014448, 0.000119} ), + FlashData( 1.000000e+05, 2.981500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.811028, {0.000249, 0.894832}, {0.011039, 0.000125} ), + FlashData( 1.000000e+05, 2.981500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998841, {0.000158, 0.968326}, {0.007034, 0.000134} ), + FlashData( 1.013250e+05, 2.981500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.002401, {0.000329, 0.841029}, {0.014353, 0.000118} ), + FlashData( 1.013250e+05, 2.981500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.810823, {0.000253, 0.893869}, {0.011041, 0.000124} ), + FlashData( 1.013250e+05, 2.981500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998839, {0.000161, 0.967914}, {0.007034, 0.000132} ), + FlashData( 1.000000e+06, 2.981500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+06, 2.981500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.733594, {0.002451, 0.635078}, {0.011378, 0.000016} ), + FlashData( 1.000000e+06, 2.981500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998313, {0.001505, 0.734457}, {0.007035, 0.000017} ), + FlashData( 1.000000e+07, 2.981500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+07, 2.981500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.426139, {0.009539, 0.294719}, {0.008274, 0.000169} ), + FlashData( 1.000000e+07, 2.981500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.995698, {0.008127, 0.256601}, {0.007021, 0.000153} ), + FlashData( 1.500000e+07, 2.981500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.500000e+07, 2.981500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.275063, {0.009454, 0.232929}, {0.007803, 0.001242} ), + FlashData( 1.500000e+07, 2.981500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.999403, {0.008577, 0.252667}, {0.007025, 0.001106} ), + FlashData( 5.000000e+07, 2.981500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+05, 3.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.009514, {0.000227, 0.847062}, {0.014475, 0.000776} ), + FlashData( 1.000000e+05, 3.231500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.820830, {0.000171, 0.940506}, {0.010927, 0.000840} ), + FlashData( 1.000000e+05, 3.231500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.999605, {0.000110, 0.982954}, {0.007029, 0.000869} ), + FlashData( 1.013250e+05, 3.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.009213, {0.000231, 0.846804}, {0.014528, 0.000766} ), + FlashData( 1.013250e+05, 3.231500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.820694, {0.000173, 0.939845}, {0.010929, 0.000829} ), + FlashData( 1.013250e+05, 3.231500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.999594, {0.000111, 0.982731}, {0.007029, 0.000858} ), + FlashData( 1.000000e+06, 3.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+06, 3.231500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.763803, {0.001692, 0.716010}, {0.011260, 0.000105} ), + FlashData( 1.000000e+06, 3.231500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998655, {0.001048, 0.848573}, {0.007034, 0.000115} ), + FlashData( 1.000000e+07, 3.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+07, 3.231500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.500392, {0.008630, 0.338259}, {0.009369, 0.000406} ), + FlashData( 1.000000e+07, 3.231500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.997667, {0.006476, 0.384497}, {0.007027, 0.000360} ), + FlashData( 1.500000e+07, 3.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.500000e+07, 3.231500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.367748, {0.009160, 0.266615}, {0.008725, 0.001720} ), + FlashData( 1.500000e+07, 3.231500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 5.000000e+07, 3.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+05, 3.531500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.031155, {0.000097, 0.865831}, {0.008647, 0.004929} ), + FlashData( 1.000000e+05, 3.531500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.829852, {0.000120, 0.968392}, {0.010821, 0.005338} ), + FlashData( 1.000000e+05, 3.531500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.013250e+05, 3.531500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.030488, {0.000099, 0.865241}, {0.008755, 0.004866} ), + FlashData( 1.013250e+05, 3.531500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.829724, {0.000121, 0.968002}, {0.010822, 0.005269} ), + FlashData( 1.013250e+05, 3.531500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.000000e+06, 3.531500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+06, 3.531500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.787992, {0.001191, 0.795638}, {0.011101, 0.000658} ), + FlashData( 1.000000e+06, 3.531500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.999382, {0.000748, 0.906103}, {0.007030, 0.000696} ), + FlashData( 1.000000e+07, 3.531500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+07, 3.531500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.567463, {0.007479, 0.389712}, {0.010159, 0.001120} ), + FlashData( 1.000000e+07, 3.531500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.999429, {0.005131, 0.493383}, {0.007027, 0.000975} ), + FlashData( 1.500000e+07, 3.531500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.500000e+07, 3.531500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.449715, {0.008545, 0.304966}, {0.009556, 0.003072} ), + FlashData( 1.500000e+07, 3.531500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.000000e+05, 3.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.053370, {0.000054, 0.885524}, {0.005836, 0.013991} ), + FlashData( 1.000000e+05, 3.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.839835, {0.000099, 0.977972}, {0.010698, 0.014959} ), + FlashData( 1.000000e+05, 3.731500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.013250e+05, 3.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.052543, {0.000056, 0.884773}, {0.005903, 0.013808} ), + FlashData( 1.013250e+05, 3.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.839621, {0.000100, 0.977689}, {0.010700, 0.014767} ), + FlashData( 1.013250e+05, 3.731500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.000000e+06, 3.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+06, 3.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.799362, {0.000988, 0.836026}, {0.011011, 0.001828} ), + FlashData( 1.000000e+06, 3.731500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.000000e+07, 3.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+07, 3.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.602229, {0.006805, 0.422215}, {0.010450, 0.002084} ), + FlashData( 1.000000e+07, 3.731500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.500000e+07, 3.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.500000e+07, 3.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.492074, {0.008098, 0.328602}, {0.009931, 0.004663} ), + FlashData( 1.500000e+07, 3.731500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.000000e+05, 3.931500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.078426, {0.000034, 0.907428}, {0.004230, 0.035040} ), + FlashData( 1.000000e+05, 3.931500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.860286, {0.000083, 0.983960}, {0.010448, 0.036880} ), + FlashData( 1.000000e+05, 3.931500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.013250e+05, 3.931500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.077531, {0.000035, 0.906620}, {0.004269, 0.034580} ), + FlashData( 1.013250e+05, 3.931500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.859825, {0.000084, 0.983745}, {0.010454, 0.036407} ), + FlashData( 1.000000e+06, 3.931500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+06, 3.931500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.808966, {0.000846, 0.866838}, {0.010926, 0.004456} ), + FlashData( 1.000000e+07, 3.931500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.630979, {0.006236, 0.452193}, {0.010617, 0.003695} ), + FlashData( 1.500000e+07, 3.931500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.527277, {0.007678, 0.350047}, {0.010185, 0.007065} ), + FlashData( 1.500000e+07, 3.931500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 5.000000e+07, 3.931500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.013250e+05, 5.231500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.000000e+06, 5.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.013401, {0.000295, 0.847670}, {0.005333, 0.201455} ), + FlashData( 1.000000e+06, 5.231500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 1.000000, {0.009000, 0.169200}, {0.009000, 0.169200} ), + FlashData( 1.000000e+07, 5.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+07, 5.231500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.783614, {0.004654, 0.554668}, {0.010200, 0.062757} ), + FlashData( 1.500000e+07, 5.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.500000e+07, 5.231500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.717160, {0.006496, 0.400841}, {0.009988, 0.077843} ), + FlashData( 1.013250e+05, 5.731500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.000000e+06, 5.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.166124, {0.000103, 0.906268}, {0.001666, 0.501402} ), + FlashData( 1.000000e+07, 5.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.947056, {0.004797, 0.541766}, {0.009235, 0.148372} ), + FlashData( 8.000000e+07, 8.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 8.000000e+07, 8.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 1.000000, {0.009000, 0.169200}, {0.009000, 0.169200} ), + FlashData( 8.000000e+07, 8.731500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.000000e+08, 8.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+08, 8.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 1.000000, {0.009000, 0.169200}, {0.009000, 0.169200} ), + FlashData( 1.000000e+08, 8.731500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ) + ) + ); + +INSTANTIATE_TEST_SUITE_P( + NegativeTwoPhaseFlash, + NegativeTwoPhaseFlash9CompSRK, + ::testing::Values( + FlashData( 1.000000e+05, 2.781500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000197, {0.000361, 0.839175}, {0.010852, 0.000016} ), + FlashData( 1.000000e+05, 2.781500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.798097, {0.000372, 0.837963}, {0.011183, 0.000016} ), + FlashData( 1.000000e+05, 2.781500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998678, {0.000233, 0.937435}, {0.007035, 0.000017} ), + FlashData( 1.013250e+05, 2.781500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000102, {0.000362, 0.839096}, {0.010741, 0.000015} ), + FlashData( 1.013250e+05, 2.781500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.797815, {0.000377, 0.836797}, {0.011185, 0.000015} ), + FlashData( 1.013250e+05, 2.781500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998677, {0.000236, 0.936631}, {0.007035, 0.000017} ), + FlashData( 1.000000e+06, 2.781500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+06, 2.781500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.701296, {0.003551, 0.566442}, {0.011321, 0.000002} ), + FlashData( 1.000000e+06, 2.781500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.997601, {0.002208, 0.522879}, {0.007038, 0.000002} ), + FlashData( 1.000000e+07, 2.781500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+07, 2.781500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.355337, {0.010126, 0.262428}, {0.006957, 0.000064} ), + FlashData( 1.000000e+07, 2.781500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.990607, {0.010007, 0.127315}, {0.006998, 0.000061} ), + FlashData( 1.500000e+07, 2.781500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.500000e+07, 2.781500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.189968, {0.009500, 0.208646}, {0.006869, 0.001001} ), + FlashData( 1.500000e+07, 2.781500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998881, {0.009683, 0.203759}, {0.007023, 0.001029} ), + FlashData( 1.000000e+05, 2.886500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.001347, {0.000346, 0.840142}, {0.012715, 0.000042} ), + FlashData( 1.000000e+05, 2.886500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.805502, {0.000302, 0.869750}, {0.011100, 0.000044} ), + FlashData( 1.000000e+05, 2.886500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998737, {0.000191, 0.957109}, {0.007035, 0.000047} ), + FlashData( 1.013250e+05, 2.886500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.001238, {0.000348, 0.840050}, {0.012604, 0.000042} ), + FlashData( 1.013250e+05, 2.886500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.805263, {0.000306, 0.868685}, {0.011102, 0.000043} ), + FlashData( 1.013250e+05, 2.886500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998736, {0.000193, 0.956554}, {0.007035, 0.000047} ), + FlashData( 1.000000e+06, 2.886500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+06, 2.886500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.719517, {0.002933, 0.603231}, {0.011365, 0.000006} ), + FlashData( 1.000000e+06, 2.886500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998081, {0.001810, 0.651470}, {0.007036, 0.000006} ), + FlashData( 1.000000e+07, 2.886500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+07, 2.886500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.396003, {0.009922, 0.280076}, {0.007594, 0.000088} ), + FlashData( 1.000000e+07, 2.886500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.993728, {0.009141, 0.187545}, {0.007013, 0.000080} ), + FlashData( 1.500000e+07, 2.886500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.500000e+07, 2.886500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.240606, {0.009550, 0.222512}, {0.007264, 0.000938} ), + FlashData( 1.500000e+07, 2.886500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998414, {0.009259, 0.224729}, {0.007022, 0.000901} ), + FlashData( 5.000000e+07, 2.886500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+05, 2.981500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.002711, {0.000326, 0.841291}, {0.014087, 0.000098} ), + FlashData( 1.000000e+05, 2.981500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.810920, {0.000255, 0.894421}, {0.011039, 0.000103} ), + FlashData( 1.000000e+05, 2.981500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998816, {0.000162, 0.968232}, {0.007034, 0.000110} ), + FlashData( 1.013250e+05, 2.981500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.002578, {0.000328, 0.841178}, {0.013993, 0.000096} ), + FlashData( 1.013250e+05, 2.981500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.810716, {0.000258, 0.893460}, {0.011041, 0.000101} ), + FlashData( 1.013250e+05, 2.981500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998814, {0.000164, 0.967820}, {0.007034, 0.000108} ), + FlashData( 1.000000e+06, 2.981500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+06, 2.981500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.734036, {0.002496, 0.636140}, {0.011357, 0.000013} ), + FlashData( 1.000000e+06, 2.981500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998304, {0.001539, 0.732405}, {0.007035, 0.000014} ), + FlashData( 1.000000e+07, 2.981500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+07, 2.981500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.428647, {0.009656, 0.296047}, {0.008126, 0.000123} ), + FlashData( 1.000000e+07, 2.981500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.995306, {0.008367, 0.244161}, {0.007020, 0.000110} ), + FlashData( 1.500000e+07, 2.981500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.500000e+07, 2.981500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.280995, {0.009532, 0.234947}, {0.007638, 0.000967} ), + FlashData( 1.500000e+07, 2.981500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998466, {0.008825, 0.247830}, {0.007023, 0.000877} ), + FlashData( 5.000000e+07, 2.981500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+05, 3.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.009799, {0.000227, 0.847306}, {0.014141, 0.000671} ), + FlashData( 1.000000e+05, 3.231500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.820760, {0.000174, 0.940659}, {0.010927, 0.000727} ), + FlashData( 1.000000e+05, 3.231500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.999486, {0.000112, 0.983094}, {0.007030, 0.000751} ), + FlashData( 1.013250e+05, 3.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.009494, {0.000230, 0.847045}, {0.014191, 0.000663} ), + FlashData( 1.013250e+05, 3.231500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.820626, {0.000176, 0.940001}, {0.010929, 0.000717} ), + FlashData( 1.013250e+05, 3.231500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.999476, {0.000113, 0.982873}, {0.007030, 0.000741} ), + FlashData( 1.000000e+06, 3.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+06, 3.231500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.764168, {0.001724, 0.717170}, {0.011245, 0.000089} ), + FlashData( 1.000000e+06, 3.231500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.998636, {0.001071, 0.849075}, {0.007034, 0.000098} ), + FlashData( 1.000000e+07, 3.231500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.500247, {0.008751, 0.338258}, {0.009248, 0.000309} ), + FlashData( 1.000000e+07, 3.231500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.997385, {0.006666, 0.376212}, {0.007027, 0.000273} ), + FlashData( 1.500000e+07, 3.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.500000e+07, 3.231500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.368341, {0.009249, 0.267083}, {0.008574, 0.001342} ), + FlashData( 1.500000e+07, 3.231500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.999515, {0.007646, 0.315975}, {0.007026, 0.001103} ), + FlashData( 1.000000e+05, 3.531500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.031804, {0.000097, 0.866423}, {0.008470, 0.004481} ), + FlashData( 1.000000e+05, 3.531500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.829483, {0.000122, 0.968691}, {0.010825, 0.004849} ), + FlashData( 1.000000e+05, 3.531500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.013250e+05, 3.531500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.031134, {0.000099, 0.865829}, {0.008574, 0.004423} ), + FlashData( 1.013250e+05, 3.531500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.829361, {0.000124, 0.968304}, {0.010826, 0.004786} ), + FlashData( 1.013250e+05, 3.531500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.000000e+06, 3.531500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+06, 3.531500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.788230, {0.001216, 0.796793}, {0.011091, 0.000588} ), + FlashData( 1.000000e+06, 3.531500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.999299, {0.000766, 0.906819}, {0.007030, 0.000621} ), + FlashData( 1.000000e+07, 3.531500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+07, 3.531500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.565606, {0.007602, 0.388344}, {0.010074, 0.000894} ), + FlashData( 1.000000e+07, 3.531500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 0.999017, {0.005276, 0.488289}, {0.007028, 0.000777} ), + FlashData( 1.500000e+07, 3.531500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.500000e+07, 3.531500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.446859, {0.008647, 0.303916}, {0.009437, 0.002442} ), + FlashData( 1.500000e+07, 3.531500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.000000e+05, 3.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.054177, {0.000055, 0.886321}, {0.005743, 0.013044} ), + FlashData( 1.000000e+05, 3.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.838983, {0.000101, 0.978218}, {0.010708, 0.013933} ), + FlashData( 1.000000e+05, 3.731500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.013250e+05, 3.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.053352, {0.000056, 0.885570}, {0.005808, 0.012873} ), + FlashData( 1.013250e+05, 3.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.838780, {0.000102, 0.977938}, {0.010710, 0.013754} ), + FlashData( 1.000000e+06, 3.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.799463, {0.001011, 0.837056}, {0.011004, 0.001676} ), + FlashData( 1.000000e+07, 3.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.599654, {0.006926, 0.420077}, {0.010385, 0.001707} ), + FlashData( 1.500000e+07, 3.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.487747, {0.008205, 0.326722}, {0.009835, 0.003763} ), + FlashData( 1.000000e+05, 3.931500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.079189, {0.000034, 0.908297}, {0.004184, 0.033343} ), + FlashData( 1.000000e+05, 3.931500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.858658, {0.000085, 0.984127}, {0.010467, 0.035057} ), + FlashData( 1.013250e+05, 3.931500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.078302, {0.000035, 0.907492}, {0.004221, 0.032904} ), + FlashData( 1.013250e+05, 3.931500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.858220, {0.000086, 0.983915}, {0.010473, 0.034607} ), + FlashData( 1.013250e+05, 3.931500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ), + FlashData( 1.000000e+06, 3.931500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+06, 3.931500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.808878, {0.000868, 0.867643}, {0.010922, 0.004171} ), + FlashData( 1.000000e+07, 3.931500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.627809, {0.006355, 0.449384}, {0.010568, 0.003096} ), + FlashData( 1.500000e+07, 3.931500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.521757, {0.007786, 0.347485}, {0.010113, 0.005784} ), + FlashData( 1.000000e+06, 5.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.013083, {0.000299, 0.847460}, {0.005181, 0.201586} ), + FlashData( 1.000000e+07, 5.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+07, 5.231500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.771605, {0.004757, 0.549320}, {0.010256, 0.056684} ), + FlashData( 1.500000e+07, 5.231500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.500000e+07, 5.231500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.692342, {0.006548, 0.399534}, {0.010089, 0.066846} ), + FlashData( 1.000000e+06, 5.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.168528, {0.000106, 0.906625}, {0.001631, 0.505413} ), + FlashData( 1.000000e+07, 5.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+07, 5.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.914262, {0.004869, 0.538035}, {0.009387, 0.134611} ), + FlashData( 1.500000e+07, 5.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 0.986509, {0.007097, 0.343039}, {0.009026, 0.166823} ), + FlashData( 1.000000e+08, 8.731500e+02, {0.000363, 0.000007, 0.003471, 0.006007, 0.018423, 0.034034, 0.042565, 0.056120, 0.839010}, 1, 0.000000, {0.000363, 0.839010}, {0.000363, 0.839010} ), + FlashData( 1.000000e+08, 8.731500e+02, {0.009000, 0.003000, 0.534700, 0.114600, 0.087900, 0.045600, 0.020900, 0.015100, 0.169200}, 1, 1.000000, {0.009000, 0.169200}, {0.009000, 0.169200} ), + FlashData( 1.000000e+08, 8.731500e+02, {0.007026, 0.006161, 0.827761, 0.091046, 0.045353, 0.015026, 0.004474, 0.001898, 0.001256}, 1, 1.000000, {0.007026, 0.001256}, {0.007026, 0.001256} ) + ) + ); + +/* UNCRUSTIFY-ON */ + +} // testing + +} // geos diff --git a/src/coreComponents/events/EventBase.hpp b/src/coreComponents/events/EventBase.hpp index 99aa5b3cfbb..89b1d8f5c22 100644 --- a/src/coreComponents/events/EventBase.hpp +++ b/src/coreComponents/events/EventBase.hpp @@ -44,12 +44,6 @@ class EventBase : public ExecutableGroup /// Destructor virtual ~EventBase() override; - /** - * @brief Catalog name interface. - * @return This type's catalog name. - **/ - static string catalogName() { return "EventBase"; } - /** * @brief If the event forecast is equal to 1, then signal the targets to prepare for execution * during the next cycle. diff --git a/src/coreComponents/events/tasks/TaskBase.hpp b/src/coreComponents/events/tasks/TaskBase.hpp index 94293fa2896..cfe210da0ad 100644 --- a/src/coreComponents/events/tasks/TaskBase.hpp +++ b/src/coreComponents/events/tasks/TaskBase.hpp @@ -39,12 +39,6 @@ class TaskBase : public ExecutableGroup Group * const parent ); virtual ~TaskBase( ) override; - /** - * @brief Catalog name interface - * @return This type's catalog name - */ - static string catalogName() { return "TaskBase"; } - /// The catalog interface type for TaskBase using CatalogInterface = dataRepository::CatalogInterface< TaskBase, string const &, Group * const >; /** diff --git a/src/coreComponents/fileIO/Outputs/OutputBase.hpp b/src/coreComponents/fileIO/Outputs/OutputBase.hpp index 4d41cd8b820..f6348e77df0 100644 --- a/src/coreComponents/fileIO/Outputs/OutputBase.hpp +++ b/src/coreComponents/fileIO/Outputs/OutputBase.hpp @@ -39,12 +39,6 @@ class OutputBase : public ExecutableGroup /// Destructor virtual ~OutputBase() override; - /** - * @brief Catalog name interface. - * @return This type's catalog name. - **/ - static string catalogName() { return "OutputBase"; } - /** * @brief Setter for the output directory * @param outputDir The output directory diff --git a/src/coreComponents/functions/FunctionBase.hpp b/src/coreComponents/functions/FunctionBase.hpp index 5c2fb4b6eb1..da135084f3e 100644 --- a/src/coreComponents/functions/FunctionBase.hpp +++ b/src/coreComponents/functions/FunctionBase.hpp @@ -60,12 +60,6 @@ class FunctionBase : public dataRepository::Group */ virtual ~FunctionBase() override = default; - /** - * @brief Static Factory Catalog Functions - * @return the catalog name - */ - static string catalogName() { return "FunctionBase"; } - /** * @brief Function initialization */ diff --git a/src/coreComponents/linearAlgebra/interfaces/hypre/mgrStrategies/MultiphasePoromechanics.hpp b/src/coreComponents/linearAlgebra/interfaces/hypre/mgrStrategies/MultiphasePoromechanics.hpp index c8a9c878213..22cda3aa388 100644 --- a/src/coreComponents/linearAlgebra/interfaces/hypre/mgrStrategies/MultiphasePoromechanics.hpp +++ b/src/coreComponents/linearAlgebra/interfaces/hypre/mgrStrategies/MultiphasePoromechanics.hpp @@ -87,8 +87,7 @@ class MultiphasePoromechanics : public MGRStrategyBase< 3 > m_levelGlobalSmootherType[1] = MGRGlobalSmootherType::none; // Level 2 - m_levelFRelaxType[2] = MGRFRelaxationType::jacobi; - m_levelFRelaxIters[2] = 1; + m_levelFRelaxType[2] = MGRFRelaxationType::none; m_levelInterpType[2] = MGRInterpolationType::injection; m_levelRestrictType[2] = MGRRestrictionType::blockColLumped; // True-IMPES m_levelCoarseGridMethod[2] = MGRCoarseGridMethod::galerkinRAI; diff --git a/src/coreComponents/mesh/generators/MeshGeneratorBase.hpp b/src/coreComponents/mesh/generators/MeshGeneratorBase.hpp index 016e00e1389..48b97d15280 100644 --- a/src/coreComponents/mesh/generators/MeshGeneratorBase.hpp +++ b/src/coreComponents/mesh/generators/MeshGeneratorBase.hpp @@ -53,12 +53,6 @@ class MeshGeneratorBase : public dataRepository::Group explicit MeshGeneratorBase( string const & name, Group * const parent ); - /** - * @brief Return the name of the MeshGenerator in object catalog. - * @return string that contains the catalog name of the MeshGenerator - */ - static string catalogName() { return "MeshGeneratorBase"; } - /// This function is used to expand any catalogs in the data structure virtual void expandObjectCatalogs() override; diff --git a/src/coreComponents/mesh/generators/WellGeneratorBase.hpp b/src/coreComponents/mesh/generators/WellGeneratorBase.hpp index a4c6cb5f577..07f56600536 100644 --- a/src/coreComponents/mesh/generators/WellGeneratorBase.hpp +++ b/src/coreComponents/mesh/generators/WellGeneratorBase.hpp @@ -46,12 +46,6 @@ class WellGeneratorBase : public WellGeneratorABC WellGeneratorBase( const string & name, Group * const parent ); - /** - * @brief Get the catalog name. - * @return the name of this type in the catalog - */ - static string catalogName() { return "WellGeneratorBase"; } - /// This function is used to expand any catalogs in the data structure virtual void expandObjectCatalogs() override; diff --git a/src/coreComponents/physicsSolvers/CMakeLists.txt b/src/coreComponents/physicsSolvers/CMakeLists.txt index d23d07265e6..bf0278adf7e 100644 --- a/src/coreComponents/physicsSolvers/CMakeLists.txt +++ b/src/coreComponents/physicsSolvers/CMakeLists.txt @@ -128,31 +128,31 @@ set( physicsSolvers_headers surfaceGeneration/SurfaceGeneratorFields.hpp surfaceGeneration/kernels/surfaceGenerationKernels.hpp surfaceGeneration/kernels/surfaceGenerationKernelsHelpers.hpp - wavePropagation/WaveSolverBase.hpp - wavePropagation/WaveSolverUtils.hpp - wavePropagation/PrecomputeSourcesAndReceiversKernel.hpp - wavePropagation/AcousticFields.hpp - wavePropagation/AcousticWaveEquationSEM.hpp - wavePropagation/AcousticWaveEquationSEMKernel.hpp - wavePropagation/AcousticTimeSchemeSEMKernel.hpp - wavePropagation/AcousticMatricesSEMKernel.hpp - wavePropagation/AcousticPMLSEMKernel.hpp - wavePropagation/ElasticFields.hpp - wavePropagation/ElasticWaveEquationSEM.hpp - wavePropagation/ElasticWaveEquationSEMKernel.hpp - wavePropagation/ElasticTimeSchemeSEMKernel.hpp - wavePropagation/ElasticFirstOrderWaveEquationSEM.hpp - wavePropagation/ElasticFirstOrderWaveEquationSEMKernel.hpp - wavePropagation/AcousticFirstOrderWaveEquationSEM.hpp - wavePropagation/AcousticFirstOrderWaveEquationSEMKernel.hpp - wavePropagation/ElasticMatricesSEMKernel.hpp - wavePropagation/AcousticVTIFields.hpp - wavePropagation/AcousticVTIWaveEquationSEM.hpp - wavePropagation/AcousticVTIWaveEquationSEMKernel.hpp - wavePropagation/AcoustoElasticFields.hpp - wavePropagation/AcoustoElasticTimeSchemeSEMKernel.hpp - wavePropagation/AcousticElasticWaveEquationSEM.hpp - wavePropagation/AcousticElasticWaveEquationSEMKernel.hpp ) + wavePropagation/shared/WaveSolverBase.hpp + wavePropagation/shared/WaveSolverUtils.hpp + wavePropagation/shared/PrecomputeSourcesAndReceiversKernel.hpp + wavePropagation/sem/acoustic/shared/AcousticFields.hpp + wavePropagation/sem/acoustic/secondOrderEqn/isotropic/AcousticWaveEquationSEM.hpp + wavePropagation/sem/acoustic/secondOrderEqn/isotropic/AcousticWaveEquationSEMKernel.hpp + wavePropagation/sem/acoustic/shared/AcousticTimeSchemeSEMKernel.hpp + wavePropagation/sem/acoustic/shared/AcousticMatricesSEMKernel.hpp + wavePropagation/sem/acoustic/secondOrderEqn/isotropic/AcousticPMLSEMKernel.hpp + wavePropagation/sem/elastic/shared/ElasticFields.hpp + wavePropagation/sem/elastic/secondOrderEqn/isotropic/ElasticWaveEquationSEM.hpp + wavePropagation/sem/elastic/secondOrderEqn/isotropic/ElasticWaveEquationSEMKernel.hpp + wavePropagation/sem/elastic/shared/ElasticTimeSchemeSEMKernel.hpp + wavePropagation/sem/elastic/firstOrderEqn/isotropic/ElasticFirstOrderWaveEquationSEM.hpp + wavePropagation/sem/elastic/firstOrderEqn/isotropic/ElasticFirstOrderWaveEquationSEMKernel.hpp + wavePropagation/sem/acoustic/firstOrderEqn/isotropic/AcousticFirstOrderWaveEquationSEM.hpp + wavePropagation/sem/acoustic/firstOrderEqn/isotropic/AcousticFirstOrderWaveEquationSEMKernel.hpp + wavePropagation/sem/elastic/shared/ElasticMatricesSEMKernel.hpp + wavePropagation/sem/acoustic/secondOrderEqn/anisotropic/AcousticVTIFields.hpp + wavePropagation/sem/acoustic/secondOrderEqn/anisotropic/AcousticVTIWaveEquationSEM.hpp + wavePropagation/sem/acoustic/secondOrderEqn/anisotropic/AcousticVTIWaveEquationSEMKernel.hpp + wavePropagation/sem/acoustoelastic/secondOrderEqn/isotropic/AcoustoElasticFields.hpp + wavePropagation/sem/acoustoelastic/secondOrderEqn/isotropic/AcoustoElasticTimeSchemeSEMKernel.hpp + wavePropagation/sem/acoustoelastic/secondOrderEqn/isotropic/AcousticElasticWaveEquationSEM.hpp + wavePropagation/sem/acoustoelastic/secondOrderEqn/isotropic/AcousticElasticWaveEquationSEMKernel.hpp ) # Specify solver sources set( physicsSolvers_sources @@ -209,13 +209,13 @@ set( physicsSolvers_sources surfaceGeneration/EmbeddedSurfacesParallelSynchronization.cpp surfaceGeneration/ParallelTopologyChange.cpp surfaceGeneration/SurfaceGenerator.cpp - wavePropagation/WaveSolverBase.cpp - wavePropagation/AcousticWaveEquationSEM.cpp - wavePropagation/ElasticWaveEquationSEM.cpp - wavePropagation/ElasticFirstOrderWaveEquationSEM.cpp - wavePropagation/AcousticFirstOrderWaveEquationSEM.cpp - wavePropagation/AcousticVTIWaveEquationSEM.cpp - wavePropagation/AcousticElasticWaveEquationSEM.cpp ) + wavePropagation/shared/WaveSolverBase.cpp + wavePropagation/sem/acoustic/secondOrderEqn/isotropic/AcousticWaveEquationSEM.cpp + wavePropagation/sem/elastic/secondOrderEqn/isotropic/ElasticWaveEquationSEM.cpp + wavePropagation/sem/elastic/firstOrderEqn/isotropic/ElasticFirstOrderWaveEquationSEM.cpp + wavePropagation/sem/acoustic/firstOrderEqn/isotropic/AcousticFirstOrderWaveEquationSEM.cpp + wavePropagation/sem/acoustic/secondOrderEqn/anisotropic/AcousticVTIWaveEquationSEM.cpp + wavePropagation/sem/acoustoelastic/secondOrderEqn/isotropic/AcousticElasticWaveEquationSEM.cpp ) include( solidMechanics/kernels/SolidMechanicsKernels.cmake) include( multiphysics/poromechanicsKernels/PoromechanicsKernels.cmake) diff --git a/src/coreComponents/physicsSolvers/NonlinearSolverParameters.cpp b/src/coreComponents/physicsSolvers/NonlinearSolverParameters.cpp index 05946aa15b8..9f238c6a9f1 100644 --- a/src/coreComponents/physicsSolvers/NonlinearSolverParameters.cpp +++ b/src/coreComponents/physicsSolvers/NonlinearSolverParameters.cpp @@ -60,6 +60,11 @@ NonlinearSolverParameters::NonlinearSolverParameters( string const & name, setInputFlag( InputFlags::OPTIONAL ). setDescription( "Iteration when line search starts." ); + registerWrapper( viewKeysStruct::lineSearchResidualFactorString(), &m_lineSearchResidualFactor ). + setApplyDefaultValue( 1.0 ). + setInputFlag( InputFlags::OPTIONAL ). + setDescription( "Factor to determine residual increase (recommended values: 1.1 (conservative), 2.0 (relaxed), 10.0 (aggressive))." ); + registerWrapper( viewKeysStruct::normTypeString(), &m_normType ). setInputFlag( InputFlags::FALSE ). setApplyDefaultValue( solverBaseKernels::NormType::Linf ). @@ -160,7 +165,7 @@ NonlinearSolverParameters::NonlinearSolverParameters( string const & name, setApplyDefaultValue( 0 ). setDescription( "Flag to decide whether to iterate between sequentially coupled solvers or not." ); - this->registerWrapper( viewKeysStruct::nonlinearAccelerationTypeString(), &m_nonlinearAccelerationType ). + registerWrapper( viewKeysStruct::nonlinearAccelerationTypeString(), &m_nonlinearAccelerationType ). setApplyDefaultValue( NonlinearAccelerationType::None ). setInputFlag( dataRepository::InputFlags::OPTIONAL ). setDescription( "Nonlinear acceleration type for sequential solver." ); @@ -173,6 +178,9 @@ void NonlinearSolverParameters::postProcessInput() getWrapperDataContext( viewKeysStruct::timeStepIncreaseIterLimString() ) << ": should be smaller than " << viewKeysStruct::timeStepDecreaseIterLimString() ); + GEOS_ERROR_IF_LE_MSG( m_lineSearchResidualFactor, 0.0, + getWrapperDataContext( viewKeysStruct::lineSearchResidualFactorString() ) << ": should be positive" ); + if( getLogLevel() > 0 ) { GEOS_LOG_RANK_0( "Nonlinear solver parameters:" ); @@ -182,6 +190,8 @@ void NonlinearSolverParameters::postProcessInput() GEOS_LOG_RANK_0( GEOS_FMT( " Line search interpolation type = {}", EnumStrings< LineSearchInterpolationType >::toString( m_lineSearchInterpType ) ) ); GEOS_LOG_RANK_0( GEOS_FMT( " Line search maximum number of cuts = {}", m_lineSearchMaxCuts ) ); GEOS_LOG_RANK_0( GEOS_FMT( " Line search cut factor = {}", m_lineSearchCutFactor ) ); + GEOS_LOG_RANK_0( GEOS_FMT( " Line search starting iteration = {}", m_lineSearchStartingIteration ) ); + GEOS_LOG_RANK_0( GEOS_FMT( " Line search residual increase factor = {}", m_lineSearchResidualFactor ) ); } GEOS_LOG_RANK_0( GEOS_FMT( " Norm type (flow solver) = {}", EnumStrings< solverBaseKernels::NormType >::toString( m_normType ) ) ); GEOS_LOG_RANK_0( GEOS_FMT( " Minimum residual normalizer = {}", m_minNormalizer ) ); diff --git a/src/coreComponents/physicsSolvers/NonlinearSolverParameters.hpp b/src/coreComponents/physicsSolvers/NonlinearSolverParameters.hpp index 9f9f93da0fc..e5e7a1d1120 100644 --- a/src/coreComponents/physicsSolvers/NonlinearSolverParameters.hpp +++ b/src/coreComponents/physicsSolvers/NonlinearSolverParameters.hpp @@ -64,6 +64,7 @@ class NonlinearSolverParameters : public dataRepository::Group m_lineSearchMaxCuts = params.m_lineSearchMaxCuts; m_lineSearchCutFactor = params.m_lineSearchCutFactor; m_lineSearchStartingIteration = params.m_lineSearchStartingIteration; + m_lineSearchResidualFactor = params.m_lineSearchResidualFactor; m_newtonTol = params.m_newtonTol; m_maxIterNewton = params.m_maxIterNewton; @@ -103,6 +104,7 @@ class NonlinearSolverParameters : public dataRepository::Group static constexpr char const * lineSearchCutFactorString() { return "lineSearchCutFactor"; } static constexpr char const * lineSearchInterpolationTypeString() { return "lineSearchInterpolationType"; } static constexpr char const * lineSearchStartingIterationString() { return "lineSearchStartingIteration"; } + static constexpr char const * lineSearchResidualFactorString() { return "lineSearchResidualFactor"; } static constexpr char const * normTypeString() { return "normType"; } static constexpr char const * minNormalizerString() { return "minNormalizer"; } @@ -261,6 +263,9 @@ class NonlinearSolverParameters : public dataRepository::Group /// Iteration when line search starts integer m_lineSearchStartingIteration; + /// Factor to determine residual increase + real64 m_lineSearchResidualFactor; + /// Norm used to check the nonlinear loop convergence solverBaseKernels::NormType m_normType; diff --git a/src/coreComponents/physicsSolvers/SolverBase.cpp b/src/coreComponents/physicsSolvers/SolverBase.cpp index e2d15594a1b..b612e2ed3f9 100644 --- a/src/coreComponents/physicsSolvers/SolverBase.cpp +++ b/src/coreComponents/physicsSolvers/SolverBase.cpp @@ -896,7 +896,8 @@ bool SolverBase::solveNonlinearSystem( real64 const & time_n, // do line search in case residual has increased if( m_nonlinearSolverParameters.m_lineSearchAction != NonlinearSolverParameters::LineSearchAction::None - && residualNorm > lastResidual && newtonIter >= m_nonlinearSolverParameters.m_lineSearchStartingIteration ) + && residualNorm > lastResidual * m_nonlinearSolverParameters.m_lineSearchResidualFactor + && newtonIter >= m_nonlinearSolverParameters.m_lineSearchStartingIteration ) { bool lineSearchSuccess = false; if( m_nonlinearSolverParameters.m_lineSearchInterpType == NonlinearSolverParameters::LineSearchInterpolationType::Linear ) diff --git a/src/coreComponents/physicsSolvers/SolverBase.hpp b/src/coreComponents/physicsSolvers/SolverBase.hpp index 6e79f0cf05c..3a1610aad53 100644 --- a/src/coreComponents/physicsSolvers/SolverBase.hpp +++ b/src/coreComponents/physicsSolvers/SolverBase.hpp @@ -49,8 +49,6 @@ class SolverBase : public ExecutableGroup SolverBase & operator=( SolverBase const & ) = delete; SolverBase & operator=( SolverBase && ) = delete; - static string catalogName() { return "SolverBase"; } - /** * @return Get the final class Catalog name */ diff --git a/src/coreComponents/physicsSolvers/contact/SolidMechanicsEmbeddedFractures.cpp b/src/coreComponents/physicsSolvers/contact/SolidMechanicsEmbeddedFractures.cpp index a1b6f02c927..563a07119ed 100644 --- a/src/coreComponents/physicsSolvers/contact/SolidMechanicsEmbeddedFractures.cpp +++ b/src/coreComponents/physicsSolvers/contact/SolidMechanicsEmbeddedFractures.cpp @@ -537,83 +537,90 @@ real64 SolidMechanicsEmbeddedFractures::calculateResidualNorm( real64 const & ti if( !m_useStaticCondensation ) { + real64 const fractureResidualNorm = calculateFractureResidualNorm( domain, dofManager, localRhs ); - string const jumpDofKey = dofManager.getKey( contact::dispJump::key() ); + return sqrt( solidResidualNorm * solidResidualNorm + fractureResidualNorm * fractureResidualNorm ); + } + else + { + return solidResidualNorm; + } +} - globalIndex const rankOffset = dofManager.rankOffset(); +real64 SolidMechanicsEmbeddedFractures::calculateFractureResidualNorm( DomainPartition const & domain, + DofManager const & dofManager, + arrayView1d< real64 const > const & localRhs ) const +{ + string const jumpDofKey = dofManager.getKey( contact::dispJump::key() ); + + globalIndex const rankOffset = dofManager.rankOffset(); - RAJA::ReduceSum< parallelDeviceReduce, real64 > localSum( 0.0 ); + RAJA::ReduceSum< parallelDeviceReduce, real64 > localSum( 0.0 ); - // globalResidualNorm[0]: the sum of all the local sum(rhs^2). - // globalResidualNorm[1]: max of max force of each rank. Basically max force globally - real64 globalResidualNorm[2] = {0, 0}; + // globalResidualNorm[0]: the sum of all the local sum(rhs^2). + // globalResidualNorm[1]: max of max force of each rank. Basically max force globally + real64 globalResidualNorm[2] = {0.0, 0.0}; - // Fracture residual - forFractureRegionOnMeshTargets( domain.getMeshBodies(), [&] ( SurfaceElementRegion const & fractureRegion ) + // Fracture residual + forFractureRegionOnMeshTargets( domain.getMeshBodies(), [&] ( SurfaceElementRegion const & fractureRegion ) + { + fractureRegion.forElementSubRegions< SurfaceElementSubRegion >( [&]( SurfaceElementSubRegion const & subRegion ) { - fractureRegion.forElementSubRegions< SurfaceElementSubRegion >( [&]( SurfaceElementSubRegion const & subRegion ) - { - arrayView1d< globalIndex const > const & - dofNumber = subRegion.getReference< array1d< globalIndex > >( jumpDofKey ); - arrayView1d< integer const > const & ghostRank = subRegion.ghostRank(); + arrayView1d< globalIndex const > const & + dofNumber = subRegion.getReference< array1d< globalIndex > >( jumpDofKey ); + arrayView1d< integer const > const & ghostRank = subRegion.ghostRank(); - forAll< parallelDevicePolicy<> >( subRegion.size(), - [localRhs, localSum, dofNumber, rankOffset, ghostRank] GEOS_HOST_DEVICE ( localIndex const k ) + forAll< parallelDevicePolicy<> >( subRegion.size(), + [localRhs, localSum, dofNumber, rankOffset, ghostRank] GEOS_HOST_DEVICE ( localIndex const k ) + { + if( ghostRank[k] < 0 ) { - if( ghostRank[k] < 0 ) + localIndex const localRow = LvArray::integerConversion< localIndex >( dofNumber[k] - rankOffset ); + for( int i = 0; i < 3; ++i ) { - localIndex const localRow = LvArray::integerConversion< localIndex >( dofNumber[k] - rankOffset ); - for( localIndex i = 0; i < 3; ++i ) - { - localSum += localRhs[localRow + i] * localRhs[localRow + i]; - } + localSum += localRhs[localRow + i] * localRhs[localRow + i]; } - } ); - + } } ); - real64 const localResidualNorm[2] = { localSum.get(), SolidMechanicsLagrangianFEM::getMaxForce() }; + } ); + real64 const localResidualNorm[2] = { localSum.get(), SolidMechanicsLagrangianFEM::getMaxForce() }; - int const rank = MpiWrapper::commRank( MPI_COMM_GEOSX ); - int const numRanks = MpiWrapper::commSize( MPI_COMM_GEOSX ); - array1d< real64 > globalValues( numRanks * 2 ); + int const rank = MpiWrapper::commRank( MPI_COMM_GEOSX ); + int const numRanks = MpiWrapper::commSize( MPI_COMM_GEOSX ); + array1d< real64 > globalValues( numRanks * 2 ); - // Everything is done on rank 0 - MpiWrapper::gather( localResidualNorm, - 2, - globalValues.data(), - 2, - 0, - MPI_COMM_GEOSX ); + // Everything is done on rank 0 + MpiWrapper::gather( localResidualNorm, + 2, + globalValues.data(), + 2, + 0, + MPI_COMM_GEOSX ); - if( rank==0 ) + if( rank==0 ) + { + for( int r=0; r= 1 && logger::internal::rank==0 ) - { - std::cout << GEOS_FMT( " ( RFracture ) = ( {:4.2e} )", fractureResidualNorm ); - } + real64 const fractureResidualNorm = sqrt( globalResidualNorm[0] )/(globalResidualNorm[1]+1); // the + 1 is for the first + // time-step when maxForce = 0; - return sqrt( solidResidualNorm * solidResidualNorm + fractureResidualNorm * fractureResidualNorm ); - } - else + if( getLogLevel() >= 1 && logger::internal::rank==0 ) { - return solidResidualNorm; + std::cout << GEOS_FMT( " ( RFracture ) = ( {:4.2e} )", fractureResidualNorm ); } + + return fractureResidualNorm; } void SolidMechanicsEmbeddedFractures::applySystemSolution( DofManager const & dofManager, diff --git a/src/coreComponents/physicsSolvers/contact/SolidMechanicsEmbeddedFractures.hpp b/src/coreComponents/physicsSolvers/contact/SolidMechanicsEmbeddedFractures.hpp index 23153c33df6..0422634b20d 100644 --- a/src/coreComponents/physicsSolvers/contact/SolidMechanicsEmbeddedFractures.hpp +++ b/src/coreComponents/physicsSolvers/contact/SolidMechanicsEmbeddedFractures.hpp @@ -77,6 +77,10 @@ class SolidMechanicsEmbeddedFractures : public ContactSolverBase DofManager const & dofManager, arrayView1d< real64 const > const & localRhs ) override; + real64 calculateFractureResidualNorm( DomainPartition const & domain, + DofManager const & dofManager, + arrayView1d< real64 const > const & localRhs ) const; + virtual void applySystemSolution( DofManager const & dofManager, arrayView1d< real64 const > const & localSolution, diff --git a/src/coreComponents/physicsSolvers/contact/SolidMechanicsLagrangeContact.cpp b/src/coreComponents/physicsSolvers/contact/SolidMechanicsLagrangeContact.cpp index f9d018d9803..8c5439511cc 100644 --- a/src/coreComponents/physicsSolvers/contact/SolidMechanicsLagrangeContact.cpp +++ b/src/coreComponents/physicsSolvers/contact/SolidMechanicsLagrangeContact.cpp @@ -697,7 +697,11 @@ real64 SolidMechanicsLagrangeContact::calculateContactResidualNorm( DomainPartit string const & dofKey = dofManager.getKey( contact::traction::key() ); globalIndex const rankOffset = dofManager.rankOffset(); - real64 contactResidual = 0.0; + real64 stickResidual = 0.0; + real64 slipResidual = 0.0; + real64 slipNormalizer = 0.0; + real64 openResidual = 0.0; + real64 openNormalizer = 0.0; forDiscretizationOnMeshTargets( domain.getMeshBodies(), [&] ( string const &, MeshLevel const & mesh, @@ -708,42 +712,78 @@ real64 SolidMechanicsLagrangeContact::calculateContactResidualNorm( DomainPartit { arrayView1d< globalIndex const > const & dofNumber = subRegion.getReference< array1d< globalIndex > >( dofKey ); arrayView1d< integer const > const & ghostRank = subRegion.ghostRank(); + arrayView1d< integer const > const & fractureState = subRegion.getField< contact::fractureState >(); + arrayView1d< real64 const > const & area = subRegion.getElementArea(); - RAJA::ReduceSum< parallelHostReduce, real64 > localSum( 0.0 ); + RAJA::ReduceSum< parallelHostReduce, real64 > stickSum( 0.0 ); + RAJA::ReduceSum< parallelHostReduce, real64 > slipSum( 0.0 ); + RAJA::ReduceMax< parallelHostReduce, real64 > slipMax( 0.0 ); + RAJA::ReduceSum< parallelHostReduce, real64 > openSum( 0.0 ); + RAJA::ReduceMax< parallelHostReduce, real64 > openMax( 0.0 ); forAll< parallelHostPolicy >( subRegion.size(), [=] ( localIndex const k ) { if( ghostRank[k] < 0 ) { localIndex const localRow = LvArray::integerConversion< localIndex >( dofNumber[k] - rankOffset ); - for( localIndex dim = 0; dim < 3; ++dim ) + switch( fractureState[k] ) { - localSum += localRhs[localRow + dim] * localRhs[localRow + dim]; + case contact::FractureState::Stick: + { + for( localIndex dim = 0; dim < 3; ++dim ) + { + real64 const norm = localRhs[localRow + dim] / area[k]; + stickSum += norm * norm; + } + break; + } + case contact::FractureState::Slip: + case contact::FractureState::NewSlip: + { + for( localIndex dim = 0; dim < 3; ++dim ) + { + slipSum += localRhs[localRow + dim] * localRhs[localRow + dim]; + slipMax.max( LvArray::math::abs( localRhs[localRow + dim] ) ); + } + break; + } + case contact::FractureState::Open: + { + for( localIndex dim = 0; dim < 3; ++dim ) + { + openSum += localRhs[localRow + dim] * localRhs[localRow + dim]; + openMax.max( LvArray::math::abs( localRhs[localRow + dim] ) ); + } + break; + } } } } ); - contactResidual += localSum.get(); + + stickResidual += stickSum.get(); + slipResidual += slipSum.get(); + slipNormalizer = LvArray::math::max( slipNormalizer, slipMax.get()); + openResidual += openSum.get(); + openNormalizer = LvArray::math::max( openNormalizer, openMax.get()); } ); } ); - contactResidual = MpiWrapper::sum( contactResidual ); - contactResidual = sqrt( contactResidual ); + stickResidual = MpiWrapper::sum( stickResidual ); + stickResidual = sqrt( stickResidual ); - if( this->m_nonlinearSolverParameters.m_numNewtonIterations == 0 ) - { - this->m_initialContactResidual = contactResidual; - contactResidual = 1.0; - } - else - { - contactResidual /= (this->m_initialContactResidual + 1.0); - } + slipResidual = MpiWrapper::sum( slipResidual ); + slipNormalizer = MpiWrapper::max( slipNormalizer ); + slipResidual = sqrt( slipResidual ) / ( slipNormalizer + 1.0 ); + + openResidual = MpiWrapper::sum( openResidual ); + openNormalizer = MpiWrapper::max( openNormalizer ); + openResidual = sqrt( openResidual ) / ( openNormalizer + 1.0 ); if( getLogLevel() >= 1 && logger::internal::rank==0 ) { - std::cout << GEOS_FMT( " ( Rtraction ) = ( {:15.6e} )", contactResidual ); + std::cout << GEOS_FMT( " ( Rstick Rslip Ropen ) = ( {:15.6e} {:15.6e} {:15.6e} )", stickResidual, slipResidual, openResidual ); } - return contactResidual; + return sqrt( stickResidual * stickResidual + slipResidual * slipResidual + openResidual * openResidual ); } void SolidMechanicsLagrangeContact::createPreconditioner( DomainPartition const & domain ) diff --git a/src/coreComponents/physicsSolvers/contact/SolidMechanicsLagrangeContact.hpp b/src/coreComponents/physicsSolvers/contact/SolidMechanicsLagrangeContact.hpp index 28485284008..bdb00997153 100644 --- a/src/coreComponents/physicsSolvers/contact/SolidMechanicsLagrangeContact.hpp +++ b/src/coreComponents/physicsSolvers/contact/SolidMechanicsLagrangeContact.hpp @@ -165,8 +165,6 @@ class SolidMechanicsLagrangeContact : public ContactSolverBase real64 const m_slidingCheckTolerance = 0.05; - real64 m_initialContactResidual = 0.0; - real64 m_stabilitzationScalingCoefficient = 1.0; void createPreconditioner( DomainPartition const & domain ); diff --git a/src/coreComponents/physicsSolvers/fluidFlow/CompositionalMultiphaseBase.cpp b/src/coreComponents/physicsSolvers/fluidFlow/CompositionalMultiphaseBase.cpp index 1a322d78e90..8656844b04c 100644 --- a/src/coreComponents/physicsSolvers/fluidFlow/CompositionalMultiphaseBase.cpp +++ b/src/coreComponents/physicsSolvers/fluidFlow/CompositionalMultiphaseBase.cpp @@ -62,7 +62,6 @@ CompositionalMultiphaseBase::CompositionalMultiphaseBase( const string & name, m_hasCapPressure( 0 ), m_hasDiffusion( 0 ), m_hasDispersion( 0 ), - m_keepFlowVariablesConstantDuringInitStep( 0 ), m_minScalingFactor( 0.01 ), m_allowCompDensChopping( 1 ), m_useTotalMassEquation( 1 ), @@ -1003,7 +1002,7 @@ void CompositionalMultiphaseBase::computeHydrostaticEquilibrium() getCatalogName() << " " << getDataContext() << ": the gravity vector specified in this simulation (" << gravVector[0] << " " << gravVector[1] << " " << gravVector[2] << ") is not aligned with the z-axis. \n" - "This is incompatible with the " << EquilibriumInitialCondition::catalogName() << " " << bc.getDataContext() << + "This is incompatible with the " << bc.getCatalogName() << " " << bc.getDataContext() << "used in this simulation. To proceed, you can either: \n" << " - Use a gravityVector aligned with the z-axis, such as (0.0,0.0,-9.81)\n" << " - Remove the hydrostatic equilibrium initial condition from the XML file", @@ -1510,8 +1509,8 @@ void CompositionalMultiphaseBase::applySourceFluxBC( real64 const time, { globalIndex const numTargetElems = MpiWrapper::sum< globalIndex >( targetSet.size() ); GEOS_LOG_RANK_0( GEOS_FMT( bcLogMessage, - getName(), time+dt, SourceFluxBoundaryCondition::catalogName(), - fs.getName(), setName, subRegion.getName(), fs.getScale(), numTargetElems ) ); + getName(), time+dt, fs.getCatalogName(), fs.getName(), + setName, subRegion.getName(), fs.getScale(), numTargetElems ) ); } if( targetSet.size() == 0 ) diff --git a/src/coreComponents/physicsSolvers/fluidFlow/CompositionalMultiphaseBase.hpp b/src/coreComponents/physicsSolvers/fluidFlow/CompositionalMultiphaseBase.hpp index 594b452f270..c80e8aa606e 100644 --- a/src/coreComponents/physicsSolvers/fluidFlow/CompositionalMultiphaseBase.hpp +++ b/src/coreComponents/physicsSolvers/fluidFlow/CompositionalMultiphaseBase.hpp @@ -235,11 +235,9 @@ class CompositionalMultiphaseBase : public FlowSolverBase // inputs - static constexpr char const * inputTemperatureString() { return "temperature"; } static constexpr char const * useMassFlagString() { return "useMass"; } static constexpr char const * relPermNamesString() { return "relPermNames"; } static constexpr char const * capPressureNamesString() { return "capPressureNames"; } - static constexpr char const * thermalConductivityNamesString() { return "thermalConductivityNames"; } static constexpr char const * diffusionNamesString() { return "diffusionNames"; } static constexpr char const * dispersionNamesString() { return "dispersionNames"; } @@ -329,14 +327,6 @@ class CompositionalMultiphaseBase : public FlowSolverBase CRSMatrixView< real64, globalIndex const > const & localMatrix, arrayView1d< real64 > const & localRhs ) const = 0; - /** - * @brief Utility function to keep the flow variables during a time step (used in poromechanics simulations) - * @param[in] keepFlowVariablesConstantDuringInitStep flag to tell the solver to freeze its primary variables during a time step - * @detail This function is meant to be called by a specific task before/after the initialization step - */ - void keepFlowVariablesConstantDuringInitStep( bool const keepFlowVariablesConstantDuringInitStep ) - { m_keepFlowVariablesConstantDuringInitStep = keepFlowVariablesConstantDuringInitStep; } - /** * @brief Function to fix the initial state during the initialization step in coupled problems * @param[in] time current time @@ -431,9 +421,6 @@ class CompositionalMultiphaseBase : public FlowSolverBase /// the number of fluid components integer m_numComponents; - /// the input temperature - real64 m_inputTemperature; - /// flag indicating whether mass or molar formulation should be used integer m_useMass; @@ -446,9 +433,6 @@ class CompositionalMultiphaseBase : public FlowSolverBase /// flag to determine whether or not to apply dispersion integer m_hasDispersion; - /// flag to freeze the initial state during initialization in coupled problems - integer m_keepFlowVariablesConstantDuringInitStep; - /// maximum (absolute) change in a component fraction in a Newton iteration real64 m_maxCompFracChange; @@ -532,8 +516,8 @@ void CompositionalMultiphaseBase::applyFieldValue( real64 const & time_n, { globalIndex const numTargetElems = MpiWrapper::sum< globalIndex >( lset.size() ); GEOS_LOG_RANK_0( GEOS_FMT( logMessage, - getName(), time_n+dt, FieldSpecificationBase::catalogName(), - fs.getName(), setName, targetGroup.getName(), fs.getScale(), numTargetElems ) ); + getName(), time_n+dt, fs.getCatalogName(), fs.getName(), + setName, targetGroup.getName(), fs.getScale(), numTargetElems ) ); } // Specify the bc value of the field diff --git a/src/coreComponents/physicsSolvers/fluidFlow/CompositionalMultiphaseFVM.cpp b/src/coreComponents/physicsSolvers/fluidFlow/CompositionalMultiphaseFVM.cpp index 2387a59291b..9794bed5cee 100644 --- a/src/coreComponents/physicsSolvers/fluidFlow/CompositionalMultiphaseFVM.cpp +++ b/src/coreComponents/physicsSolvers/fluidFlow/CompositionalMultiphaseFVM.cpp @@ -1054,8 +1054,8 @@ void CompositionalMultiphaseFVM::applyAquiferBC( real64 const time, { globalIndex const numTargetFaces = MpiWrapper::sum< globalIndex >( stencil.size() ); GEOS_LOG_RANK_0( GEOS_FMT( faceBcLogMessage, - getName(), time+dt, AquiferBoundaryCondition::catalogName(), - bc.getName(), setName, faceManager.getName(), bc.getScale(), numTargetFaces ) ); + getName(), time+dt, bc.getCatalogName(), bc.getName(), + setName, faceManager.getName(), bc.getScale(), numTargetFaces ) ); } if( stencil.size() == 0 ) diff --git a/src/coreComponents/physicsSolvers/fluidFlow/FlowSolverBase.cpp b/src/coreComponents/physicsSolvers/fluidFlow/FlowSolverBase.cpp index 65e4508e4c7..756a5d5da06 100644 --- a/src/coreComponents/physicsSolvers/fluidFlow/FlowSolverBase.cpp +++ b/src/coreComponents/physicsSolvers/fluidFlow/FlowSolverBase.cpp @@ -89,6 +89,7 @@ FlowSolverBase::FlowSolverBase( string const & name, SolverBase( name, parent ), m_numDofPerCell( 0 ), m_isThermal( 0 ), + m_keepFlowVariablesConstantDuringInitStep( 0 ), m_isFixedStressPoromechanicsUpdate( false ), m_isJumpStabilized( false ) { @@ -736,7 +737,7 @@ void FlowSolverBase::saveAquiferConvergedState( real64 const & time, if( bc.getLogLevel() >= 1 ) { GEOS_LOG_RANK_0( GEOS_FMT( "{} {}: at time {} s, the boundary condition produces a volume of {} m3.", - AquiferBoundaryCondition::catalogName(), bc.getName(), + bc.getCatalogName(), bc.getName(), time + dt, dt * globalSumFluxes[aquiferIndex] ) ); } bc.saveConvergedState( dt * globalSumFluxes[aquiferIndex] ); diff --git a/src/coreComponents/physicsSolvers/fluidFlow/FlowSolverBase.hpp b/src/coreComponents/physicsSolvers/fluidFlow/FlowSolverBase.hpp index f917c1673e8..3de1b21e7ea 100644 --- a/src/coreComponents/physicsSolvers/fluidFlow/FlowSolverBase.hpp +++ b/src/coreComponents/physicsSolvers/fluidFlow/FlowSolverBase.hpp @@ -70,7 +70,9 @@ class FlowSolverBase : public SolverBase static constexpr char const * solidNamesString() { return "solidNames"; } static constexpr char const * permeabilityNamesString() { return "permeabilityNames"; } static constexpr char const * isThermalString() { return "isThermal"; } + static constexpr char const * inputTemperatureString() { return "temperature"; } static constexpr char const * solidInternalEnergyNamesString() { return "solidInternalEnergyNames"; } + static constexpr char const * thermalConductivityNamesString() { return "thermalConductivityNames"; } static constexpr char const * allowNegativePressureString() { return "allowNegativePressure"; } static constexpr char const * maxAbsolutePresChangeString() { return "maxAbsolutePressureChange"; } static constexpr char const * maxSequentialPresChangeString() { return "maxSequentialPressureChange"; } @@ -138,6 +140,14 @@ class FlowSolverBase : public SolverBase */ void allowNegativePressure() { m_allowNegativePressure = 1; } + /** + * @brief Utility function to keep the flow variables during a time step (used in poromechanics simulations) + * @param[in] keepFlowVariablesConstantDuringInitStep flag to tell the solver to freeze its primary variables during a time step + * @detail This function is meant to be called by a specific task before/after the initialization step + */ + void setKeepFlowVariablesConstantDuringInitStep( bool const keepFlowVariablesConstantDuringInitStep ) + { m_keepFlowVariablesConstantDuringInitStep = keepFlowVariablesConstantDuringInitStep; } + virtual bool checkSequentialSolutionIncrements( DomainPartition & domain ) const override; protected: @@ -182,6 +192,12 @@ class FlowSolverBase : public SolverBase /// flag to determine whether or not this is a thermal simulation integer m_isThermal; + /// the input temperature + real64 m_inputTemperature; + + /// flag to freeze the initial state during initialization in coupled problems + integer m_keepFlowVariablesConstantDuringInitStep; + /// enable the fixed stress poromechanics update of porosity bool m_isFixedStressPoromechanicsUpdate; diff --git a/src/coreComponents/physicsSolvers/fluidFlow/ReactiveCompositionalMultiphaseOBL.cpp b/src/coreComponents/physicsSolvers/fluidFlow/ReactiveCompositionalMultiphaseOBL.cpp index 2eb5c29eac4..85f0354c53a 100644 --- a/src/coreComponents/physicsSolvers/fluidFlow/ReactiveCompositionalMultiphaseOBL.cpp +++ b/src/coreComponents/physicsSolvers/fluidFlow/ReactiveCompositionalMultiphaseOBL.cpp @@ -842,8 +842,8 @@ void ReactiveCompositionalMultiphaseOBL::applySourceFluxBC( real64 const time, { globalIndex const numTargetElems = MpiWrapper::sum< globalIndex >( targetSet.size() ); GEOS_LOG_RANK_0( GEOS_FMT( bcLogMessage, - getName(), time+dt, SourceFluxBoundaryCondition::catalogName(), - fs.getName(), setName, subRegion.getName(), fs.getScale(), numTargetElems ) ); + getName(), time+dt, fs.getCatalogName(), fs.getName(), + setName, subRegion.getName(), fs.getScale(), numTargetElems ) ); } if( targetSet.size() == 0 ) @@ -1081,8 +1081,8 @@ void ReactiveCompositionalMultiphaseOBL::applyDirichletBC( real64 const time, { globalIndex const numTargetElems = MpiWrapper::sum< globalIndex >( targetSet.size() ); GEOS_LOG_RANK_0( GEOS_FMT( bcLogMessage, - getName(), time+dt, FieldSpecificationBase::catalogName(), - fs.getName(), setName, subRegion.getName(), fs.getScale(), numTargetElems ) ); + getName(), time+dt, fs.getCatalogName(), fs.getName(), + setName, subRegion.getName(), fs.getScale(), numTargetElems ) ); } fs.applyFieldValue< FieldSpecificationEqual, parallelDevicePolicy<> >( targetSet, @@ -1121,8 +1121,8 @@ void ReactiveCompositionalMultiphaseOBL::applyDirichletBC( real64 const time, { globalIndex const numTargetElems = MpiWrapper::sum< globalIndex >( targetSet.size() ); GEOS_LOG_RANK_0( GEOS_FMT( bcLogMessage, - getName(), time+dt, FieldSpecificationBase::catalogName(), - fs.getName(), setName, subRegion.getName(), fs.getScale(), numTargetElems ) ); + getName(), time+dt, fs.getCatalogName(), fs.getName(), + setName, subRegion.getName(), fs.getScale(), numTargetElems ) ); } fs.applyFieldValue< FieldSpecificationEqual, parallelDevicePolicy<> >( targetSet, diff --git a/src/coreComponents/physicsSolvers/fluidFlow/SinglePhaseBase.cpp b/src/coreComponents/physicsSolvers/fluidFlow/SinglePhaseBase.cpp index e6666b596c1..2a34feff229 100644 --- a/src/coreComponents/physicsSolvers/fluidFlow/SinglePhaseBase.cpp +++ b/src/coreComponents/physicsSolvers/fluidFlow/SinglePhaseBase.cpp @@ -51,8 +51,7 @@ using namespace singlePhaseBaseKernels; SinglePhaseBase::SinglePhaseBase( const string & name, Group * const parent ): - FlowSolverBase( name, parent ), - m_keepFlowVariablesConstantDuringInitStep( 0 ) + FlowSolverBase( name, parent ) { this->registerWrapper( viewKeyStruct::inputTemperatureString(), &m_inputTemperature ). setApplyDefaultValue( 0.0 ). @@ -173,7 +172,7 @@ void SinglePhaseBase::validateConstitutiveModels( DomainPartition & domain ) con constitutiveUpdatePassThru( fluid, [&] ( auto & castedFluid ) { - string const fluidModelName = castedFluid.catalogName(); + string const fluidModelName = castedFluid.getCatalogName(); GEOS_THROW_IF( m_isThermal && (fluidModelName != "ThermalCompressibleSinglePhaseFluid"), GEOS_FMT( "SingleFluidBase {}: the thermal option is enabled in the solver, but the fluid model {} is not for thermal fluid", getDataContext(), fluid.getDataContext() ), @@ -515,7 +514,7 @@ void SinglePhaseBase::computeHydrostaticEquilibrium() getCatalogName() << " " << getDataContext() << ": the gravity vector specified in this simulation (" << gravVector[0] << " " << gravVector[1] << " " << gravVector[2] << ") is not aligned with the z-axis. \n" - "This is incompatible with the " << EquilibriumInitialCondition::catalogName() << " " << bc.getDataContext() << + "This is incompatible with the " << bc.getCatalogName() << " " << bc.getDataContext() << "used in this simulation. To proceed, you can either: \n" << " - Use a gravityVector aligned with the z-axis, such as (0.0,0.0,-9.81)\n" << " - Remove the hydrostatic equilibrium initial condition from the XML file", @@ -917,8 +916,8 @@ void applyAndSpecifyFieldValue( real64 const & time_n, { globalIndex const numTargetElems = MpiWrapper::sum< globalIndex >( lset.size() ); GEOS_LOG_RANK_0( GEOS_FMT( bcLogMessage, - solverName, time_n+dt, FieldSpecificationBase::catalogName(), - fs.getName(), setName, subRegion.getName(), fs.getScale(), numTargetElems ) ); + solverName, time_n+dt, fs.getCatalogName(), fs.getName(), + setName, subRegion.getName(), fs.getScale(), numTargetElems ) ); } // Specify the bc value of the field @@ -1053,8 +1052,8 @@ void SinglePhaseBase::applySourceFluxBC( real64 const time_n, { globalIndex const numTargetElems = MpiWrapper::sum< globalIndex >( targetSet.size() ); GEOS_LOG_RANK_0( GEOS_FMT( bcLogMessage, - getName(), time_n+dt, SourceFluxBoundaryCondition::catalogName(), - fs.getName(), setName, subRegion.getName(), fs.getScale(), numTargetElems ) ); + getName(), time_n+dt, fs.getCatalogName(), fs.getName(), + setName, subRegion.getName(), fs.getScale(), numTargetElems ) ); if( isThermal ) { @@ -1064,7 +1063,7 @@ void SinglePhaseBase::applySourceFluxBC( real64 const time_n, "\n - positive value (production): both the mass balance and the energy balance equations are modified to considered the additional source term. " \ "\n For the energy balance equation, the mass flux is multipied by the enthalpy in the cell from which the fluid is being produced."; GEOS_LOG_RANK_0( GEOS_FMT( msg, - getName(), time_n+dt, SourceFluxBoundaryCondition::catalogName(), fs.getName() ) ); + getName(), time_n+dt, fs.getCatalogName(), fs.getName() ) ); } } diff --git a/src/coreComponents/physicsSolvers/fluidFlow/SinglePhaseBase.hpp b/src/coreComponents/physicsSolvers/fluidFlow/SinglePhaseBase.hpp index cbd1f680244..3ee103fae33 100644 --- a/src/coreComponents/physicsSolvers/fluidFlow/SinglePhaseBase.hpp +++ b/src/coreComponents/physicsSolvers/fluidFlow/SinglePhaseBase.hpp @@ -210,11 +210,6 @@ class SinglePhaseBase : public FlowSolverBase struct viewKeyStruct : FlowSolverBase::viewKeyStruct { static constexpr char const * elemDofFieldString() { return "singlePhaseVariables"; } - - // inputs - static constexpr char const * inputTemperatureString() { return "temperature"; } - static constexpr char const * thermalConductivityNamesString() { return "thermalConductivityNames"; } - }; /** @@ -336,14 +331,6 @@ class SinglePhaseBase : public FlowSolverBase GEOS_UNUSED_VAR( domain ); } - /** - * @brief Utility function to keep the flow variables during a time step (used in poromechanics simulations) - * @param[in] keepFlowVariablesConstantDuringInitStep flag to tell the solver to freeze its primary variables during a time step - * @detail This function is meant to be called by a specific task before/after the initialization step - */ - void keepFlowVariablesConstantDuringInitStep( bool const keepFlowVariablesConstantDuringInitStep ) - { m_keepFlowVariablesConstantDuringInitStep = keepFlowVariablesConstantDuringInitStep; } - /** * @brief Function to fix the initial state during the initialization step in coupled problems * @param[in] time current time @@ -419,12 +406,6 @@ class SinglePhaseBase : public FlowSolverBase virtual ThermalFluidPropViews getThermalFluidProperties( constitutive::ConstitutiveBase const & fluid ) const; - /// the input temperature - real64 m_inputTemperature; - - /// flag to freeze the initial state during initialization in coupled problems - integer m_keepFlowVariablesConstantDuringInitStep; - private: virtual void setConstitutiveNames( ElementSubRegionBase & subRegion ) const override; diff --git a/src/coreComponents/physicsSolvers/fluidFlow/SinglePhaseFVM.cpp b/src/coreComponents/physicsSolvers/fluidFlow/SinglePhaseFVM.cpp index 565a4621fbe..9dee49fe87d 100644 --- a/src/coreComponents/physicsSolvers/fluidFlow/SinglePhaseFVM.cpp +++ b/src/coreComponents/physicsSolvers/fluidFlow/SinglePhaseFVM.cpp @@ -669,8 +669,8 @@ void SinglePhaseFVM< BASE >::applyFaceDirichletBC( real64 const time_n, { globalIndex const numTargetFaces = MpiWrapper::sum< globalIndex >( stencil.size() ); GEOS_LOG_RANK_0( GEOS_FMT( faceBcLogMessage, - this->getName(), time_n+dt, FieldSpecificationBase::catalogName(), - fs.getName(), setName, targetGroup.getName(), numTargetFaces ) ); + this->getName(), time_n+dt, fs.getCatalogName(), fs.getName(), + setName, targetGroup.getName(), numTargetFaces ) ); } if( stencil.size() == 0 ) @@ -703,8 +703,8 @@ void SinglePhaseFVM< BASE >::applyFaceDirichletBC( real64 const time_n, { globalIndex const numTargetFaces = MpiWrapper::sum< globalIndex >( stencil.size() ); GEOS_LOG_RANK_0( GEOS_FMT( faceBcLogMessage, - this->getName(), time_n+dt, FieldSpecificationBase::catalogName(), - fs.getName(), setName, targetGroup.getName(), numTargetFaces ) ); + this->getName(), time_n+dt, fs.getCatalogName(), fs.getName(), + setName, targetGroup.getName(), numTargetFaces ) ); } if( stencil.size() == 0 ) @@ -772,8 +772,8 @@ void SinglePhaseFVM< BASE >::applyFaceDirichletBC( real64 const time_n, { globalIndex const numTargetFaces = MpiWrapper::sum< globalIndex >( stencil.size() ); GEOS_LOG_RANK_0( GEOS_FMT( faceBcLogMessage, - this->getName(), time_n+dt, FieldSpecificationBase::catalogName(), - fs.getName(), setName, targetGroup.getName(), numTargetFaces ) ); + this->getName(), time_n+dt, fs.getCatalogName(), fs.getName(), + setName, targetGroup.getName(), numTargetFaces ) ); } if( stencil.size() == 0 ) diff --git a/src/coreComponents/physicsSolvers/fluidFlow/SinglePhaseFVM.hpp b/src/coreComponents/physicsSolvers/fluidFlow/SinglePhaseFVM.hpp index ef6705b4f5e..ac57c77afb3 100644 --- a/src/coreComponents/physicsSolvers/fluidFlow/SinglePhaseFVM.hpp +++ b/src/coreComponents/physicsSolvers/fluidFlow/SinglePhaseFVM.hpp @@ -96,20 +96,20 @@ class SinglePhaseFVM : public BASE * @brief name of the node manager in the object catalog * @return string that contains the catalog name to generate a new NodeManager object through the object catalog. */ - template< typename _BASE=BASE > - static - typename std::enable_if< std::is_same< _BASE, SinglePhaseBase >::value, string >::type - catalogName() + static string catalogName() { - return "SinglePhaseFVM"; - } - - template< typename _BASE=BASE > - static - typename std::enable_if< std::is_same< _BASE, SinglePhaseProppantBase >::value, string >::type - catalogName() - { - return "SinglePhaseProppantFVM"; + if constexpr ( std::is_same_v< BASE, SinglePhaseBase > ) + { + return "SinglePhaseFVM"; + } + else if constexpr ( std::is_same_v< BASE, SinglePhaseProppantBase > ) + { + return "SinglePhaseProppantFVM"; + } + else + { + return BASE::catalogName(); + } } /** diff --git a/src/coreComponents/physicsSolvers/fluidFlow/SinglePhaseHybridFVM.cpp b/src/coreComponents/physicsSolvers/fluidFlow/SinglePhaseHybridFVM.cpp index 703f8658777..a142c0dd3ba 100644 --- a/src/coreComponents/physicsSolvers/fluidFlow/SinglePhaseHybridFVM.cpp +++ b/src/coreComponents/physicsSolvers/fluidFlow/SinglePhaseHybridFVM.cpp @@ -365,8 +365,8 @@ void SinglePhaseHybridFVM::applyFaceDirichletBC( real64 const time_n, { globalIndex const numTargetFaces = MpiWrapper::sum< globalIndex >( targetSet.size() ); GEOS_LOG_RANK_0( GEOS_FMT( faceBcLogMessage, - this->getName(), time_n+dt, FieldSpecificationBase::catalogName(), - fs.getName(), setName, targetGroup.getName(), numTargetFaces ) ); + this->getName(), time_n+dt, fs.getCatalogName(), fs.getName(), + setName, targetGroup.getName(), numTargetFaces ) ); } // next, we use the field specification functions to apply the boundary conditions to the system diff --git a/src/coreComponents/physicsSolvers/fluidFlow/wells/CompositionalMultiphaseWell.cpp b/src/coreComponents/physicsSolvers/fluidFlow/wells/CompositionalMultiphaseWell.cpp index 6620d93c277..2c335449b94 100644 --- a/src/coreComponents/physicsSolvers/fluidFlow/wells/CompositionalMultiphaseWell.cpp +++ b/src/coreComponents/physicsSolvers/fluidFlow/wells/CompositionalMultiphaseWell.cpp @@ -240,6 +240,7 @@ void CompositionalMultiphaseWell::registerDataOnMesh( Group & meshBodies ) reference().resizeDimension< 0 >( m_numPhases ); wellControls.registerWrapper< real64 >( viewKeyStruct::currentTotalVolRateString() ); + wellControls.registerWrapper< real64 >( viewKeyStruct::massDensityString() ); wellControls.registerWrapper< real64 >( viewKeyStruct::dCurrentTotalVolRate_dPresString() ). setRestartFlags( RestartFlags::NO_WRITE ); wellControls.registerWrapper< array1d< real64 > >( viewKeyStruct::dCurrentTotalVolRate_dCompDensString() ). @@ -687,7 +688,8 @@ void CompositionalMultiphaseWell::updateVolRatesForConstraint( WellElementSubReg wellControls.getReference< array1d< real64 > >( CompositionalMultiphaseWell::viewKeyStruct::dCurrentTotalVolRate_dCompDensString() ); real64 & dCurrentTotalVolRate_dRate = wellControls.getReference< real64 >( CompositionalMultiphaseWell::viewKeyStruct::dCurrentTotalVolRate_dRateString() ); - + real64 & massDensity = + wellControls.getReference< real64 >( CompositionalMultiphaseWell::viewKeyStruct::massDensityString() ); constitutive::constitutiveUpdatePassThru( fluid, [&] ( auto & castedFluid ) { typename TYPEOFREF( castedFluid ) ::KernelWrapper fluidWrapper = castedFluid.createKernelWrapper(); @@ -721,7 +723,8 @@ void CompositionalMultiphaseWell::updateVolRatesForConstraint( WellElementSubReg &iwelemRef, &logLevel, &wellControlsName, - &massUnit] ( localIndex const ) + &massUnit, + &massDensity] ( localIndex const ) { GEOS_UNUSED_VAR( massUnit ); using Deriv = multifluid::DerivativeOffset; @@ -757,7 +760,7 @@ void CompositionalMultiphaseWell::updateVolRatesForConstraint( WellElementSubReg real64 const currentTotalRate = connRate[iwelemRef]; // Step 2.1: compute the inverse of the total density and derivatives - + massDensity =totalDens[iwelemRef][0]; // need to verify this is surface dens real64 const totalDensInv = 1.0 / totalDens[iwelemRef][0]; real64 const dTotalDensInv_dPres = -dTotalDens[iwelemRef][0][Deriv::dP] * totalDensInv * totalDensInv; stackArray1d< real64, maxNumComp > dTotalDensInv_dCompDens( numComp ); diff --git a/src/coreComponents/physicsSolvers/fluidFlow/wells/CompositionalMultiphaseWell.hpp b/src/coreComponents/physicsSolvers/fluidFlow/wells/CompositionalMultiphaseWell.hpp index e0b95e4799b..6d165cb56c7 100644 --- a/src/coreComponents/physicsSolvers/fluidFlow/wells/CompositionalMultiphaseWell.hpp +++ b/src/coreComponents/physicsSolvers/fluidFlow/wells/CompositionalMultiphaseWell.hpp @@ -293,6 +293,7 @@ class CompositionalMultiphaseWell : public WellSolverBase // control data (not registered on the mesh) + static constexpr char const * massDensityString() { return "massDensity";} static constexpr char const * currentBHPString() { return "currentBHP"; } static constexpr char const * dCurrentBHP_dPresString() { return "dCurrentBHP_dPres"; } diff --git a/src/coreComponents/physicsSolvers/fluidFlow/wells/CompositionalMultiphaseWellKernels.cpp b/src/coreComponents/physicsSolvers/fluidFlow/wells/CompositionalMultiphaseWellKernels.cpp index 74cafe77cc4..d16557c96c6 100644 --- a/src/coreComponents/physicsSolvers/fluidFlow/wells/CompositionalMultiphaseWellKernels.cpp +++ b/src/coreComponents/physicsSolvers/fluidFlow/wells/CompositionalMultiphaseWellKernels.cpp @@ -40,6 +40,7 @@ ControlEquationHelper:: real64 const & targetBHP, real64 const & targetPhaseRate, real64 const & targetTotalRate, + real64 const & targetMassRate, real64 const & currentBHP, arrayView1d< real64 const > const & currentPhaseVolRate, real64 const & currentTotalVolRate, @@ -102,9 +103,18 @@ ControlEquationHelper:: } else { - newControl = ( currentControl == WellControls::Control::BHP ) - ? WellControls::Control::TOTALVOLRATE - : WellControls::Control::BHP; + if( isZero( targetMassRate ) ) + { + newControl = ( currentControl == WellControls::Control::BHP ) + ? WellControls::Control::TOTALVOLRATE + : WellControls::Control::BHP; + } + else + { + newControl = ( currentControl == WellControls::Control::BHP ) + ? WellControls::Control::MASSRATE + : WellControls::Control::BHP; + } } } } @@ -120,6 +130,7 @@ ControlEquationHelper:: real64 const & targetBHP, real64 const & targetPhaseRate, real64 const & targetTotalRate, + real64 const & targetMassRate, real64 const & currentBHP, real64 const & dCurrentBHP_dPres, arrayView1d< real64 const > const & dCurrentBHP_dCompDens, @@ -131,6 +142,7 @@ ControlEquationHelper:: real64 const & dCurrentTotalVolRate_dPres, arrayView1d< real64 const > const & dCurrentTotalVolRate_dCompDens, real64 const & dCurrentTotalVolRate_dRate, + real64 const & massDensity, globalIndex const dofNumber, CRSMatrixView< real64, globalIndex const > const & localMatrix, arrayView1d< real64 > const & localRhs ) @@ -189,6 +201,17 @@ ControlEquationHelper:: dControlEqn_dComp[ic] = dCurrentTotalVolRate_dCompDens[ic]; } } + // Total mass rate control + else if( currentControl == WellControls::Control::MASSRATE ) + { + controlEqn = massDensity*currentTotalVolRate - targetMassRate; + dControlEqn_dPres = massDensity*dCurrentTotalVolRate_dPres; + dControlEqn_dRate = massDensity*dCurrentTotalVolRate_dRate; + for( integer ic = 0; ic < NC; ++ic ) + { + dControlEqn_dComp[ic] = massDensity*dCurrentTotalVolRate_dCompDens[ic]; + } + } else { GEOS_ERROR( "This constraint is not supported in CompositionalMultiphaseWell" ); @@ -610,6 +633,7 @@ PressureRelationKernel:: real64 const targetBHP = wellControls.getTargetBHP( timeAtEndOfStep ); real64 const targetTotalRate = wellControls.getTargetTotalRate( timeAtEndOfStep ); real64 const targetPhaseRate = wellControls.getTargetPhaseRate( timeAtEndOfStep ); + real64 const targetMassRate = wellControls.getTargetMassRate( timeAtEndOfStep ); // dynamic well control data real64 const & currentBHP = @@ -636,6 +660,8 @@ PressureRelationKernel:: wellControls.getReference< array1d< real64 > >( CompositionalMultiphaseWell::viewKeyStruct::dCurrentTotalVolRate_dCompDensString() ); real64 const & dCurrentTotalVolRate_dRate = wellControls.getReference< real64 >( CompositionalMultiphaseWell::viewKeyStruct::dCurrentTotalVolRate_dRateString() ); + real64 const & massDensity = + wellControls.getReference< real64 >( CompositionalMultiphaseWell::viewKeyStruct::massDensityString() ); RAJA::ReduceMax< parallelDeviceReduce, localIndex > switchControl( 0 ); @@ -653,6 +679,7 @@ PressureRelationKernel:: targetBHP, targetPhaseRate, targetTotalRate, + targetMassRate, currentBHP, currentPhaseVolRate, currentTotalVolRate, @@ -668,6 +695,7 @@ PressureRelationKernel:: targetBHP, targetPhaseRate, targetTotalRate, + targetMassRate, currentBHP, dCurrentBHP_dPres, dCurrentBHP_dCompDens, @@ -679,6 +707,7 @@ PressureRelationKernel:: dCurrentTotalVolRate_dPres, dCurrentTotalVolRate_dCompDens, dCurrentTotalVolRate_dRate, + massDensity, wellElemDofNumber[iwelemControl], localMatrix, localRhs ); @@ -1746,6 +1775,7 @@ RateInitializationKernel:: bool const isProducer = wellControls.isProducer(); real64 const targetTotalRate = wellControls.getTargetTotalRate( currentTime ); real64 const targetPhaseRate = wellControls.getTargetPhaseRate( currentTime ); + real64 const targetMassRate = wellControls.getTargetMassRate( currentTime ); // Estimate the connection rates forAll< parallelDevicePolicy<> >( subRegionSize, [=] GEOS_HOST_DEVICE ( localIndex const iwelem ) @@ -1760,9 +1790,22 @@ RateInitializationKernel:: } else { - connRate[iwelem] = LvArray::math::min( 0.1 * targetTotalRate * totalDens[iwelem][0], 1e3 ); + if( isZero( targetMassRate ) ) + { + connRate[iwelem] = LvArray::math::min( 0.1 * targetTotalRate * totalDens[iwelem][0], 1e3 ); + } + else + { + connRate[iwelem] = targetMassRate; + } + } } + else if( control == WellControls::Control::MASSRATE ) + { + connRate[iwelem] = targetMassRate; + connRate[iwelem] = targetMassRate* totalDens[iwelem][0]; + } else { if( isProducer ) diff --git a/src/coreComponents/physicsSolvers/fluidFlow/wells/CompositionalMultiphaseWellKernels.hpp b/src/coreComponents/physicsSolvers/fluidFlow/wells/CompositionalMultiphaseWellKernels.hpp index ea06e3ae2ad..b35d807124d 100644 --- a/src/coreComponents/physicsSolvers/fluidFlow/wells/CompositionalMultiphaseWellKernels.hpp +++ b/src/coreComponents/physicsSolvers/fluidFlow/wells/CompositionalMultiphaseWellKernels.hpp @@ -92,6 +92,7 @@ struct ControlEquationHelper real64 const & targetBHP, real64 const & targetPhaseRate, real64 const & targetTotalRate, + real64 const & targetMassRate, real64 const & currentBHP, arrayView1d< real64 const > const & currentPhaseVolRate, real64 const & currentTotalVolRate, @@ -107,6 +108,7 @@ struct ControlEquationHelper real64 const & targetBHP, real64 const & targetPhaseRate, real64 const & targetTotalRate, + real64 const & targetMassRate, real64 const & currentBHP, real64 const & dCurrentBHP_dPres, arrayView1d< real64 const > const & dCurrentBHP_dCompDens, @@ -118,6 +120,7 @@ struct ControlEquationHelper real64 const & dCurrentTotalVolRate_dPres, arrayView1d< real64 const > const & dCurrentTotalVolRate_dCompDens, real64 const & dCurrentTotalVolRate_dRate, + real64 const & massDensity, globalIndex const dofNumber, CRSMatrixView< real64, globalIndex const > const & localMatrix, arrayView1d< real64 > const & localRhs ); @@ -692,6 +695,7 @@ class ResidualNormKernel : public solverBaseKernels::ResidualNormKernelBase< 1 > m_targetBHP( wellControls.getTargetBHP( timeAtEndOfStep ) ), m_targetTotalRate( wellControls.getTargetTotalRate( timeAtEndOfStep ) ), m_targetPhaseRate( wellControls.getTargetPhaseRate( timeAtEndOfStep ) ), + m_targetMassRate( wellControls.getTargetMassRate( timeAtEndOfStep ) ), m_volume( subRegion.getElementVolume() ), m_phaseDens_n( fluid.phaseDensity_n() ), m_totalDens_n( fluid.totalDensity_n() ) @@ -731,6 +735,11 @@ class ResidualNormKernel : public solverBaseKernels::ResidualNormKernelBase< 1 > // the residual entry is in volume / time units normalizer = LvArray::math::max( LvArray::math::abs( m_targetPhaseRate ), m_minNormalizer ); } + else if( m_currentControl == WellControls::Control::MASSRATE ) + { + // the residual entry is in volume / time units + normalizer = LvArray::math::max( LvArray::math::abs( m_targetMassRate ), m_minNormalizer ); + } } // for the pressure difference equation, always normalize by the BHP else @@ -748,8 +757,16 @@ class ResidualNormKernel : public solverBaseKernels::ResidualNormKernelBase< 1 > } else // Type::INJECTOR, only TOTALVOLRATE is supported for now { - // the residual is in mass units - normalizer = m_dt * LvArray::math::abs( m_targetTotalRate ) * m_totalDens_n[iwelem][0]; + if( m_currentControl == WellControls::Control::MASSRATE ) + { + normalizer = m_dt * LvArray::math::abs( m_targetMassRate ); + } + else + { + // the residual is in mass units + normalizer = m_dt * LvArray::math::abs( m_targetTotalRate ) * m_totalDens_n[iwelem][0]; + } + } // to make sure that everything still works well if the rate is zero, we add this check @@ -765,7 +782,15 @@ class ResidualNormKernel : public solverBaseKernels::ResidualNormKernelBase< 1 > } else // Type::INJECTOR, only TOTALVOLRATE is supported for now { - normalizer = m_dt * LvArray::math::abs( m_targetTotalRate ); + if( m_currentControl == WellControls::Control::MASSRATE ) + { + normalizer = m_dt * LvArray::math::abs( m_targetMassRate/ m_totalDens_n[iwelem][0] ); + } + else + { + normalizer = m_dt * LvArray::math::abs( m_targetTotalRate ); + } + } // to make sure that everything still works well if the rate is zero, we add this check @@ -819,6 +844,7 @@ class ResidualNormKernel : public solverBaseKernels::ResidualNormKernelBase< 1 > real64 const m_targetBHP; real64 const m_targetTotalRate; real64 const m_targetPhaseRate; + real64 const m_targetMassRate; /// View on the volume arrayView1d< real64 const > const m_volume; diff --git a/src/coreComponents/physicsSolvers/fluidFlow/wells/WellControls.cpp b/src/coreComponents/physicsSolvers/fluidFlow/wells/WellControls.cpp index 147f7027661..4d97682591b 100644 --- a/src/coreComponents/physicsSolvers/fluidFlow/wells/WellControls.cpp +++ b/src/coreComponents/physicsSolvers/fluidFlow/wells/WellControls.cpp @@ -36,6 +36,7 @@ WellControls::WellControls( string const & name, Group * const parent ) m_targetBHP( 0.0 ), m_targetTotalRate( 0.0 ), m_targetPhaseRate( 0.0 ), + m_targetMassRate( 0.0 ), m_useSurfaceConditions( 0 ), m_surfacePres( 0.0 ), m_surfaceTemp( 0.0 ), @@ -79,6 +80,11 @@ WellControls::WellControls( string const & name, Group * const parent ) setInputFlag( InputFlags::OPTIONAL ). setDescription( "Target phase volumetric rate (if useSurfaceConditions: [surface m^3/s]; else [reservoir m^3/s])" ); + registerWrapper( viewKeyStruct::targetMassRateString(), &m_targetMassRate ). + setDefaultValue( 0.0 ). + setInputFlag( InputFlags::OPTIONAL ). + setDescription( "Target Mass Rate rate ( [kg^3/s])" ); + registerWrapper( viewKeyStruct::targetPhaseNameString(), &m_targetPhaseName ). setRTTypeName( rtTypes::CustomTypes::groupNameRef ). setDefaultValue( "" ). @@ -146,6 +152,11 @@ WellControls::WellControls( string const & name, Group * const parent ) setInputFlag( InputFlags::OPTIONAL ). setDescription( "Name of the phase rate table when the rate is a time dependent function" ); + registerWrapper( viewKeyStruct::targetMassRateTableNameString(), &m_targetMassRateTableName ). + setRTTypeName( rtTypes::CustomTypes::groupNameRef ). + setInputFlag( InputFlags::OPTIONAL ). + setDescription( "Name of the mass rate table when the rate is a time dependent function" ); + registerWrapper( viewKeyStruct::statusTableNameString(), &m_statusTableName ). setRTTypeName( rtTypes::CustomTypes::groupNameRef ). setInputFlag( InputFlags::OPTIONAL ). @@ -175,6 +186,12 @@ void WellControls::switchToPhaseRateControl( real64 const & val ) m_targetPhaseRate = val; } +void WellControls::switchToMassRateControl( real64 const & val ) +{ + m_currentControl = Control::MASSRATE; + m_targetMassRate = val; +} + namespace { @@ -228,6 +245,10 @@ void WellControls::postProcessInput() getWrapperDataContext( viewKeyStruct::targetPhaseRateString() ) << ": Target oil rate is negative", InputError ); + GEOS_THROW_IF( m_targetMassRate < 0, + getWrapperDataContext( viewKeyStruct::targetMassRateString() ) << ": Target mass rate is negative", + InputError ); + GEOS_THROW_IF( (m_injectionStream.empty() && m_injectionTemperature >= 0) || (!m_injectionStream.empty() && m_injectionTemperature < 0), "WellControls " << getDataContext() << ": Both " @@ -267,14 +288,18 @@ void WellControls::postProcessInput() // 4) check that at least one rate constraint has been defined GEOS_THROW_IF( ((m_targetPhaseRate <= 0.0 && m_targetPhaseRateTableName.empty()) && + (m_targetMassRate <= 0.0 && m_targetMassRateTableName.empty()) && (m_targetTotalRate <= 0.0 && m_targetTotalRateTableName.empty())), - "WellControls " << getDataContext() << ": You need to specify a phase rate constraint or a total rate constraint. \n" << + "WellControls " << getDataContext() << ": You need to specify a phase, mass, or total rate constraint. \n" << "The phase rate constraint can be specified using " << "either " << viewKeyStruct::targetPhaseRateString() << " or " << viewKeyStruct::targetPhaseRateTableNameString() << ".\n" << "The total rate constraint can be specified using " << "either " << viewKeyStruct::targetTotalRateString() << - " or " << viewKeyStruct::targetTotalRateTableNameString(), + " or " << viewKeyStruct::targetTotalRateTableNameString()<< + "The mass rate constraint can be specified using " << + "either " << viewKeyStruct::targetMassRateString() << + " or " << viewKeyStruct::targetMassRateTableNameString(), InputError ); // 5) check whether redundant information has been provided @@ -293,6 +318,15 @@ void WellControls::postProcessInput() " The keywords " << viewKeyStruct::targetBHPString() << " and " << viewKeyStruct::targetBHPTableNameString() << " cannot be specified together", InputError ); + GEOS_THROW_IF( ((m_targetMassRate > 0.0 && !m_targetMassRateTableName.empty())), + "WellControls " << getDataContext() << ": You have provided redundant information for well mass rate." << + " The keywords " << viewKeyStruct::targetMassRateString() << " and " << viewKeyStruct::targetMassRateTableNameString() << " cannot be specified together", + InputError ); + + GEOS_THROW_IF( ((m_targetMassRate > 0.0 && m_useSurfaceConditions==0)), + "WellControls " << getDataContext() << ": Option only valid if useSurfaceConditions set to 1", + InputError ); + // 6.1) If the well is under BHP control then the BHP must be specified. // Otherwise the BHP will be set to a default value. if( m_currentControl == Control::BHP ) @@ -317,6 +351,12 @@ void WellControls::postProcessInput() << EnumStrings< Control >::toString( Control::TOTALVOLRATE ), InputError ); + // An injector must be controlled by TotalVolRate + GEOS_THROW_IF( (isProducer() && (m_inputControl == Control::MASSRATE)), + "WellControls " << getDataContext() << ": You have to control an injector with " + << EnumStrings< Control >::toString( Control::MASSRATE ), + InputError ); + // 7) Make sure that the flag disabling crossflow is not used for producers GEOS_THROW_IF( isProducer() && m_isCrossflowEnabled == 0, getWrapperDataContext( viewKeyStruct::enableCrossflowString() ) << @@ -380,7 +420,22 @@ void WellControls::postProcessInput() << m_targetPhaseRateTable->getName() << " should be TableFunction::InterpolationType::Lower", InputError ); } + // Create time-dependent mass rate table + if( m_targetMassRateTableName.empty() ) + { + m_targetMassRateTableName = getName()+"_ConstantMassRate_table"; + m_targetMassRateTable = createWellTable( m_targetMassRateTableName, m_targetMassRate ); + } + else + { + FunctionManager & functionManager = FunctionManager::getInstance(); + m_targetMassRateTable = &(functionManager.getGroup< TableFunction const >( m_targetMassRateTableName )); + GEOS_THROW_IF( m_targetMassRateTable->getInterpolationMethod() != TableFunction::InterpolationType::Lower, + "WellControls " << getDataContext() << ": The interpolation method for the time-dependent mass rate table " + << m_targetMassRateTable->getName() << " should be TableFunction::InterpolationType::Lower", + InputError ); + } // 12) Create the time-dependent well status table if( m_statusTableName.empty()) { @@ -408,7 +463,8 @@ void WellControls::postProcessInput() bool WellControls::isWellOpen( real64 const & currentTime ) const { bool isOpen = true; - if( isZero( getTargetTotalRate( currentTime ) ) && isZero( getTargetPhaseRate( currentTime ) ) ) + if( isZero( getTargetTotalRate( currentTime ) ) && isZero( getTargetPhaseRate( currentTime ) ) + && isZero( getTargetMassRate( currentTime ) )) { isOpen = false; } diff --git a/src/coreComponents/physicsSolvers/fluidFlow/wells/WellControls.hpp b/src/coreComponents/physicsSolvers/fluidFlow/wells/WellControls.hpp index 78f1524e518..b5a3af4205c 100644 --- a/src/coreComponents/physicsSolvers/fluidFlow/wells/WellControls.hpp +++ b/src/coreComponents/physicsSolvers/fluidFlow/wells/WellControls.hpp @@ -61,6 +61,7 @@ class WellControls : public dataRepository::Group BHP, /**< The well operates at a specified bottom hole pressure (BHP) */ PHASEVOLRATE, /**< The well operates at a specified phase volumetric flow rate */ TOTALVOLRATE, /**< The well operates at a specified total volumetric flow rate */ + MASSRATE, /**evaluate( ¤tTime ); + } + + /** * @brief Const accessor for the composition of the injection stream * @return a global component fraction vector @@ -276,6 +293,8 @@ class WellControls : public dataRepository::Group static constexpr char const * targetPhaseRateString() { return "targetPhaseRate"; } /// String key for the well target phase name static constexpr char const * targetPhaseNameString() { return "targetPhaseName"; } + /// String key for the well target phase name + static constexpr char const * targetMassRateString() { return "targetMassRate"; } /// String key for the well injection stream static constexpr char const * injectionStreamString() { return "injectionStream"; } /// String key for the well injection temperature @@ -290,6 +309,8 @@ class WellControls : public dataRepository::Group static constexpr char const * targetTotalRateTableNameString() { return "targetTotalRateTableName"; } /// string key for phase rate table name static constexpr char const * targetPhaseRateTableNameString() { return "targetPhaseRateTableName"; } + /// string key for mass rate table name + static constexpr char const * targetMassRateTableNameString() { return "targetMassRateTableName"; } /// string key for BHP table name static constexpr char const * targetBHPTableNameString() { return "targetBHPTableName"; } /// string key for status table name @@ -336,6 +357,9 @@ class WellControls : public dataRepository::Group /// Name of the targeted phase string m_targetPhaseName; + /// Target MassRate + real64 m_targetMassRate; + /// Vector with global component fractions at the injector array1d< real64 > m_injectionStream; @@ -357,6 +381,9 @@ class WellControls : public dataRepository::Group /// Phase rate table name string m_targetPhaseRateTableName; + /// Mass rate table name + string m_targetMassRateTableName; + /// BHP table name string m_targetBHPTableName; @@ -378,6 +405,9 @@ class WellControls : public dataRepository::Group /// Phase rate table TableFunction const * m_targetPhaseRateTable; + /// Mass rate table + TableFunction const * m_targetMassRateTable; + /// BHP table TableFunction const * m_targetBHPTable; @@ -393,6 +423,7 @@ ENUM_STRINGS( WellControls::Control, "BHP", "phaseVolRate", "totalVolRate", + "massRate", "uninitialized" ); diff --git a/src/coreComponents/physicsSolvers/multiphysics/CompositionalMultiphaseReservoirAndWells.cpp b/src/coreComponents/physicsSolvers/multiphysics/CompositionalMultiphaseReservoirAndWells.cpp index ef75ab18317..33d8a7881cc 100644 --- a/src/coreComponents/physicsSolvers/multiphysics/CompositionalMultiphaseReservoirAndWells.cpp +++ b/src/coreComponents/physicsSolvers/multiphysics/CompositionalMultiphaseReservoirAndWells.cpp @@ -37,48 +37,15 @@ namespace geos using namespace dataRepository; using namespace constitutive; -namespace -{ - -// This is meant to be specialized to work, see below -template< typename COMPOSITIONAL_RESERVOIR_SOLVER > class - CompositionalCatalogNames {}; - -// Class specialization for a RESERVOIR_SOLVER set to CompositionalMultiphaseFlow -template<> class CompositionalCatalogNames< CompositionalMultiphaseBase > -{ -public: - // TODO: find a way to use the catalog name here - static string name() { return "CompositionalMultiphaseReservoir"; } -}; -// Class specialization for a RESERVOIR_SOLVER set to MultiphasePoromechanics -template<> class CompositionalCatalogNames< MultiphasePoromechanics< CompositionalMultiphaseBase > > -{ -public: - static string name() { return MultiphasePoromechanics< CompositionalMultiphaseBase >::catalogName()+"Reservoir"; } -}; - -} - -// provide a definition for catalogName() -template< typename COMPOSITIONAL_RESERVOIR_SOLVER > -string -CompositionalMultiphaseReservoirAndWells< COMPOSITIONAL_RESERVOIR_SOLVER >:: -catalogName() -{ - return CompositionalCatalogNames< COMPOSITIONAL_RESERVOIR_SOLVER >::name(); -} - - -template< typename COMPOSITIONAL_RESERVOIR_SOLVER > -CompositionalMultiphaseReservoirAndWells< COMPOSITIONAL_RESERVOIR_SOLVER >:: +template< typename RESERVOIR_SOLVER > +CompositionalMultiphaseReservoirAndWells< RESERVOIR_SOLVER >:: CompositionalMultiphaseReservoirAndWells( const string & name, Group * const parent ) : Base( name, parent ) {} -template< typename COMPOSITIONAL_RESERVOIR_SOLVER > -CompositionalMultiphaseReservoirAndWells< COMPOSITIONAL_RESERVOIR_SOLVER >:: +template< typename RESERVOIR_SOLVER > +CompositionalMultiphaseReservoirAndWells< RESERVOIR_SOLVER >:: ~CompositionalMultiphaseReservoirAndWells() {} @@ -103,13 +70,15 @@ void CompositionalMultiphaseReservoirAndWells< CompositionalMultiphaseBase >:: setMGRStrategy() { - if( flowSolver()->getLinearSolverParameters().mgr.strategy == LinearSolverParameters::MGR::StrategyType::compositionalMultiphaseFVM ) + if( flowSolver()->getLinearSolverParameters().mgr.strategy == LinearSolverParameters::MGR::StrategyType::compositionalMultiphaseHybridFVM ) { - m_linearSolverParameters.get().mgr.strategy = LinearSolverParameters::MGR::StrategyType::compositionalMultiphaseReservoirFVM; + // add Reservoir + m_linearSolverParameters.get().mgr.strategy = LinearSolverParameters::MGR::StrategyType::compositionalMultiphaseReservoirHybridFVM; } else { - m_linearSolverParameters.get().mgr.strategy = LinearSolverParameters::MGR::StrategyType::compositionalMultiphaseReservoirHybridFVM; + // add Reservoir + m_linearSolverParameters.get().mgr.strategy = LinearSolverParameters::MGR::StrategyType::compositionalMultiphaseReservoirFVM; } } @@ -118,19 +87,21 @@ void CompositionalMultiphaseReservoirAndWells< MultiphasePoromechanics< CompositionalMultiphaseBase > >:: setMGRStrategy() { + // flow solver here is indeed flow solver, not poromechanics solver if( flowSolver()->getLinearSolverParameters().mgr.strategy == LinearSolverParameters::MGR::StrategyType::compositionalMultiphaseHybridFVM ) { - GEOS_LOG_RANK_0( "The MGR strategy for hybrid FVM is not implemented" ); + GEOS_LOG_RANK_0( "The poromechanics MGR strategy for hybrid FVM is not implemented" ); } else { + // add Reservoir m_linearSolverParameters.get().mgr.strategy = LinearSolverParameters::MGR::StrategyType::multiphasePoromechanicsReservoirFVM; } } -template< typename COMPOSITIONAL_RESERVOIR_SOLVER > +template< typename RESERVOIR_SOLVER > void -CompositionalMultiphaseReservoirAndWells< COMPOSITIONAL_RESERVOIR_SOLVER >:: +CompositionalMultiphaseReservoirAndWells< RESERVOIR_SOLVER >:: initializePreSubGroups() { Base::initializePreSubGroups(); @@ -147,18 +118,18 @@ initializePreSubGroups() InputError ); } -template< typename COMPOSITIONAL_RESERVOIR_SOLVER > +template< typename RESERVOIR_SOLVER > void -CompositionalMultiphaseReservoirAndWells< COMPOSITIONAL_RESERVOIR_SOLVER >:: +CompositionalMultiphaseReservoirAndWells< RESERVOIR_SOLVER >:: initializePostInitialConditionsPreSubGroups() { Base::initializePostInitialConditionsPreSubGroups(); setMGRStrategy(); } -template< typename COMPOSITIONAL_RESERVOIR_SOLVER > +template< typename RESERVOIR_SOLVER > void -CompositionalMultiphaseReservoirAndWells< COMPOSITIONAL_RESERVOIR_SOLVER >:: +CompositionalMultiphaseReservoirAndWells< RESERVOIR_SOLVER >:: addCouplingSparsityPattern( DomainPartition const & domain, DofManager const & dofManager, SparsityPatternView< globalIndex > const & pattern ) const @@ -263,9 +234,9 @@ addCouplingSparsityPattern( DomainPartition const & domain, } ); } -template< typename COMPOSITIONAL_RESERVOIR_SOLVER > +template< typename RESERVOIR_SOLVER > void -CompositionalMultiphaseReservoirAndWells< COMPOSITIONAL_RESERVOIR_SOLVER >:: +CompositionalMultiphaseReservoirAndWells< RESERVOIR_SOLVER >:: assembleCouplingTerms( real64 const time_n, real64 const dt, DomainPartition const & domain, diff --git a/src/coreComponents/physicsSolvers/multiphysics/CompositionalMultiphaseReservoirAndWells.hpp b/src/coreComponents/physicsSolvers/multiphysics/CompositionalMultiphaseReservoirAndWells.hpp index 3d0ab667ee4..cc77ff42863 100644 --- a/src/coreComponents/physicsSolvers/multiphysics/CompositionalMultiphaseReservoirAndWells.hpp +++ b/src/coreComponents/physicsSolvers/multiphysics/CompositionalMultiphaseReservoirAndWells.hpp @@ -26,13 +26,14 @@ namespace geos { -template< typename COMPOSITIONAL_RESERVOIR_SOLVER > -class CompositionalMultiphaseReservoirAndWells : public CoupledReservoirAndWellsBase< COMPOSITIONAL_RESERVOIR_SOLVER, +/// @tparam RESERVOIR_SOLVER compositional flow or compositional poromechanics solver +template< typename RESERVOIR_SOLVER > +class CompositionalMultiphaseReservoirAndWells : public CoupledReservoirAndWellsBase< RESERVOIR_SOLVER, CompositionalMultiphaseWell > { public: - using Base = CoupledReservoirAndWellsBase< COMPOSITIONAL_RESERVOIR_SOLVER, + using Base = CoupledReservoirAndWellsBase< RESERVOIR_SOLVER, CompositionalMultiphaseWell >; using Base::getLogLevel; using Base::m_solvers; @@ -55,7 +56,18 @@ class CompositionalMultiphaseReservoirAndWells : public CoupledReservoirAndWells * @brief name of the node manager in the object catalog * @return string that contains the catalog name to generate a new NodeManager object through the object catalog. */ - static string catalogName(); + static string catalogName() + { + if constexpr (std::is_same_v< RESERVOIR_SOLVER, CompositionalMultiphaseBase > ) // special case + { + return "CompositionalMultiphaseReservoir"; + } + else // default + { + return RESERVOIR_SOLVER::catalogName() + "Reservoir"; + } + } + /** * @copydoc SolverBase::getCatalogName() */ @@ -87,8 +99,8 @@ class CompositionalMultiphaseReservoirAndWells : public CoupledReservoirAndWells arrayView1d< real64 > const & localRhs ) const { flowSolver()->assembleStabilizedFluxTerms( dt, domain, dofManager, localMatrix, localRhs ); } - void keepFlowVariablesConstantDuringInitStep( bool const keepFlowVariablesConstantDuringInitStep ) - { flowSolver()->keepFlowVariablesConstantDuringInitStep( keepFlowVariablesConstantDuringInitStep ); } + void setKeepFlowVariablesConstantDuringInitStep( bool const keepFlowVariablesConstantDuringInitStep ) + { flowSolver()->setKeepFlowVariablesConstantDuringInitStep( keepFlowVariablesConstantDuringInitStep ); } real64 updateFluidState( ElementSubRegionBase & subRegion ) const { return flowSolver()->updateFluidState( subRegion ); } diff --git a/src/coreComponents/physicsSolvers/multiphysics/CoupledSolver.hpp b/src/coreComponents/physicsSolvers/multiphysics/CoupledSolver.hpp index d51345298cd..d46bbc32def 100644 --- a/src/coreComponents/physicsSolvers/multiphysics/CoupledSolver.hpp +++ b/src/coreComponents/physicsSolvers/multiphysics/CoupledSolver.hpp @@ -87,7 +87,7 @@ class CoupledSolver : public SolverBase getDataContext(), solverName, solverType ), InputError ); - GEOS_LOG_LEVEL_RANK_0( 1, GEOS_FMT( "{}: found {} solver named {}", getName(), solver->catalogName(), solverName ) ); + GEOS_LOG_LEVEL_RANK_0( 1, GEOS_FMT( "{}: found {} solver named {}", getName(), solver->getCatalogName(), solverName ) ); } ); } diff --git a/src/coreComponents/physicsSolvers/multiphysics/HydrofractureSolver.cpp b/src/coreComponents/physicsSolvers/multiphysics/HydrofractureSolver.cpp index dfa208b5794..803f72cdc00 100644 --- a/src/coreComponents/physicsSolvers/multiphysics/HydrofractureSolver.cpp +++ b/src/coreComponents/physicsSolvers/multiphysics/HydrofractureSolver.cpp @@ -35,39 +35,6 @@ using namespace constitutive; using namespace dataRepository; using namespace fields; - -namespace -{ - -// This is meant to be specialized to work, see below -template< typename POROMECHANICS_SOLVER > class - HydrofractureSolverCatalogNames {}; - -// Class specialization for a POROMECHANICS_SOLVER set to SinglePhasePoromechanics -template<> class HydrofractureSolverCatalogNames< SinglePhasePoromechanics< SinglePhaseBase > > -{ -public: - static string name() { return "Hydrofracture"; } -}; - -// Class specialization for a POROMECHANICS_SOLVER set to MultiphasePoromechanics -template<> class HydrofractureSolverCatalogNames< MultiphasePoromechanics< CompositionalMultiphaseBase > > -{ -public: - static string name() { return "MultiphaseHydrofracture"; } -}; -} - -// provide a definition for catalogName() -template< typename POROMECHANICS_SOLVER > -string -HydrofractureSolver< POROMECHANICS_SOLVER >:: -catalogName() -{ - return HydrofractureSolverCatalogNames< POROMECHANICS_SOLVER >::name(); -} - - template< typename POROMECHANICS_SOLVER > HydrofractureSolver< POROMECHANICS_SOLVER >::HydrofractureSolver( const string & name, Group * const parent ) @@ -1157,7 +1124,7 @@ void HydrofractureSolver< POROMECHANICS_SOLVER >::initializeNewFractureFields( D namespace { -typedef HydrofractureSolver< SinglePhasePoromechanics< SinglePhaseBase > > SinglePhaseHydrofracture; +typedef HydrofractureSolver<> SinglePhaseHydrofracture; // typedef HydrofractureSolver< MultiphasePoromechanics< CompositionalMultiphaseBase > > MultiphaseHydrofracture; REGISTER_CATALOG_ENTRY( SolverBase, SinglePhaseHydrofracture, string const &, Group * const ) // REGISTER_CATALOG_ENTRY( SolverBase, MultiphaseHydrofracture, string const &, Group * const ) diff --git a/src/coreComponents/physicsSolvers/multiphysics/HydrofractureSolver.hpp b/src/coreComponents/physicsSolvers/multiphysics/HydrofractureSolver.hpp index 152169f57c9..9d22911a24c 100644 --- a/src/coreComponents/physicsSolvers/multiphysics/HydrofractureSolver.hpp +++ b/src/coreComponents/physicsSolvers/multiphysics/HydrofractureSolver.hpp @@ -68,7 +68,19 @@ class HydrofractureSolver : public POROMECHANICS_SOLVER /// Destructor for the class ~HydrofractureSolver() override {} - static string catalogName(); + static string catalogName() + { + // single phase + if constexpr ( std::is_same_v< POROMECHANICS_SOLVER, SinglePhasePoromechanics< SinglePhaseBase > > ) + { + return "Hydrofracture"; + } +// // multi phase (TODO) +// else if constexpr ( std::is_same_v< POROMECHANICS_SOLVER, MultiphasePoromechanics< CompositionalMultiphaseBase > > ) +// { +// return "MultiphaseHydrofracture"; +// } + } /** * @copydoc SolverBase::getCatalogName() */ diff --git a/src/coreComponents/physicsSolvers/multiphysics/MultiphasePoromechanics.cpp b/src/coreComponents/physicsSolvers/multiphysics/MultiphasePoromechanics.cpp index 9367234c0ce..c497b8d9480 100644 --- a/src/coreComponents/physicsSolvers/multiphysics/MultiphasePoromechanics.cpp +++ b/src/coreComponents/physicsSolvers/multiphysics/MultiphasePoromechanics.cpp @@ -22,9 +22,7 @@ #include "constitutive/fluid/multifluid/MultiFluidBase.hpp" #include "constitutive/solid/PorousSolid.hpp" -#include "physicsSolvers/fluidFlow/CompositionalMultiphaseBase.hpp" #include "physicsSolvers/fluidFlow/FlowSolverBaseFields.hpp" -#include "physicsSolvers/multiphysics/CompositionalMultiphaseReservoirAndWells.hpp" #include "physicsSolvers/multiphysics/poromechanicsKernels/MultiphasePoromechanics.hpp" #include "physicsSolvers/multiphysics/poromechanicsKernels/ThermalMultiphasePoromechanics.hpp" #include "physicsSolvers/solidMechanics/SolidMechanicsFields.hpp" @@ -39,35 +37,6 @@ using namespace constitutive; using namespace fields; using namespace stabilization; -namespace -{ - -// This is meant to be specialized to work, see below -template< typename FLOW_SOLVER > class - MultiphaseCatalogNames {}; -// Class specialization for a FLOW_SOLVER set to CompositionalMultiphaseBase -template<> class MultiphaseCatalogNames< CompositionalMultiphaseBase > -{ -public: - static string name() { return "MultiphasePoromechanics"; } -}; -// Class specialization for a FLOW_SOLVER set to CompositionalMultiphaseReservoirAndWells -template<> class MultiphaseCatalogNames< CompositionalMultiphaseReservoirAndWells< CompositionalMultiphaseBase > > -{ -public: - static string name() { return CompositionalMultiphaseReservoirAndWells< CompositionalMultiphaseBase >::catalogName() + "Poromechanics"; } -}; -} - -// provide a definition for catalogName() -template< typename FLOW_SOLVER > -string -MultiphasePoromechanics< FLOW_SOLVER >:: -catalogName() -{ - return MultiphaseCatalogNames< FLOW_SOLVER >::name(); -} - template< typename FLOW_SOLVER > MultiphasePoromechanics< FLOW_SOLVER >::MultiphasePoromechanics( const string & name, Group * const parent ) @@ -102,7 +71,7 @@ void MultiphasePoromechanics< FLOW_SOLVER >::postProcessInput() { Base::postProcessInput(); - GEOS_ERROR_IF( this->flowSolver()->catalogName() == "CompositionalMultiphaseReservoir" && + GEOS_ERROR_IF( this->flowSolver()->getCatalogName() == "CompositionalMultiphaseReservoir" && this->getNonlinearSolverParameters().couplingType() != NonlinearSolverParameters::CouplingType::Sequential, GEOS_FMT( "{}: {} solver is only designed to work for {} = {}", this->getDataContext(), catalogName(), NonlinearSolverParameters::viewKeysStruct::couplingTypeString(), diff --git a/src/coreComponents/physicsSolvers/multiphysics/MultiphasePoromechanics.hpp b/src/coreComponents/physicsSolvers/multiphysics/MultiphasePoromechanics.hpp index 2ba88eba253..2a102fcf3ba 100644 --- a/src/coreComponents/physicsSolvers/multiphysics/MultiphasePoromechanics.hpp +++ b/src/coreComponents/physicsSolvers/multiphysics/MultiphasePoromechanics.hpp @@ -21,7 +21,7 @@ #include "physicsSolvers/multiphysics/PoromechanicsSolver.hpp" #include "physicsSolvers/fluidFlow/CompositionalMultiphaseBase.hpp" - +#include "physicsSolvers/multiphysics/CompositionalMultiphaseReservoirAndWells.hpp" namespace geos { @@ -68,7 +68,18 @@ class MultiphasePoromechanics : public PoromechanicsSolver< FLOW_SOLVER > * @brief name of the node manager in the object catalog * @return string that contains the catalog name to generate a new MultiphasePoromechanics object through the object catalog. */ - static string catalogName(); + static string catalogName() + { + if constexpr ( std::is_same_v< FLOW_SOLVER, CompositionalMultiphaseBase > ) // special case + { + return "MultiphasePoromechanics"; + } + else // default + { + return FLOW_SOLVER::catalogName() + "Poromechanics"; + } + } + /** * @copydoc SolverBase::getCatalogName() */ diff --git a/src/coreComponents/physicsSolvers/multiphysics/PoromechanicsInitialization.cpp b/src/coreComponents/physicsSolvers/multiphysics/PoromechanicsInitialization.cpp index 350e5994273..b21b1d904f5 100644 --- a/src/coreComponents/physicsSolvers/multiphysics/PoromechanicsInitialization.cpp +++ b/src/coreComponents/physicsSolvers/multiphysics/PoromechanicsInitialization.cpp @@ -33,15 +33,6 @@ namespace geos using namespace dataRepository; -// provide a definition for catalogName() -template< typename POROMECHANICS_SOLVER > -string -PoromechanicsInitialization< POROMECHANICS_SOLVER >:: -catalogName() -{ - return POROMECHANICS_SOLVER::catalogName() + "Initialization"; -} - template< typename POROMECHANICS_SOLVER > PoromechanicsInitialization< POROMECHANICS_SOLVER >:: PoromechanicsInitialization( const string & name, diff --git a/src/coreComponents/physicsSolvers/multiphysics/PoromechanicsInitialization.hpp b/src/coreComponents/physicsSolvers/multiphysics/PoromechanicsInitialization.hpp index 22f86654464..7d3933fdb1a 100644 --- a/src/coreComponents/physicsSolvers/multiphysics/PoromechanicsInitialization.hpp +++ b/src/coreComponents/physicsSolvers/multiphysics/PoromechanicsInitialization.hpp @@ -54,7 +54,10 @@ class PoromechanicsInitialization : public TaskBase ~PoromechanicsInitialization() override; /// Accessor for the catalog name - static string catalogName(); + static string catalogName() + { + return POROMECHANICS_SOLVER::catalogName() + "Initialization"; + } /** * @defgroup Tasks Interface Functions diff --git a/src/coreComponents/physicsSolvers/multiphysics/PoromechanicsSolver.hpp b/src/coreComponents/physicsSolvers/multiphysics/PoromechanicsSolver.hpp index 6d85889df85..2445cb9405b 100644 --- a/src/coreComponents/physicsSolvers/multiphysics/PoromechanicsSolver.hpp +++ b/src/coreComponents/physicsSolvers/multiphysics/PoromechanicsSolver.hpp @@ -110,7 +110,7 @@ class PoromechanicsSolver : public CoupledSolver< FLOW_SOLVER, MECHANICS_SOLVER porosityModelName = this->template getConstitutiveName< constitutive::PorosityBase >( subRegion ); GEOS_THROW_IF( porosityModelName.empty(), GEOS_FMT( "{} {} : Porosity model not found on subregion {}", - this->catalogName(), this->getDataContext().toString(), subRegion.getName() ), + this->getCatalogName(), this->getDataContext().toString(), subRegion.getName() ), InputError ); if( subRegion.hasField< fields::poromechanics::bulkDensity >() ) @@ -170,7 +170,7 @@ class PoromechanicsSolver : public CoupledSolver< FLOW_SOLVER, MECHANICS_SOLVER real64 const & dt, DomainPartition & domain ) override { - flowSolver()->keepFlowVariablesConstantDuringInitStep( m_performStressInitialization ); + flowSolver()->setKeepFlowVariablesConstantDuringInitStep( m_performStressInitialization ); Base::implicitStepSetup( time_n, dt, domain ); } diff --git a/src/coreComponents/physicsSolvers/multiphysics/SinglePhasePoromechanics.cpp b/src/coreComponents/physicsSolvers/multiphysics/SinglePhasePoromechanics.cpp index 445661f7daf..31f03782e5a 100644 --- a/src/coreComponents/physicsSolvers/multiphysics/SinglePhasePoromechanics.cpp +++ b/src/coreComponents/physicsSolvers/multiphysics/SinglePhasePoromechanics.cpp @@ -24,8 +24,6 @@ #include "constitutive/fluid/singlefluid/SingleFluidBase.hpp" #include "linearAlgebra/solvers/BlockPreconditioner.hpp" #include "linearAlgebra/solvers/SeparateComponentPreconditioner.hpp" -#include "physicsSolvers/fluidFlow/SinglePhaseBase.hpp" -#include "physicsSolvers/multiphysics/SinglePhaseReservoirAndWells.hpp" #include "physicsSolvers/multiphysics/poromechanicsKernels/SinglePhasePoromechanics.hpp" #include "physicsSolvers/multiphysics/poromechanicsKernels/ThermalSinglePhasePoromechanics.hpp" #include "physicsSolvers/solidMechanics/SolidMechanicsFields.hpp" @@ -41,36 +39,6 @@ using namespace constitutive; using namespace dataRepository; using namespace fields; -namespace -{ - -// This is meant to be specialized to work, see below -template< typename FLOW_SOLVER > class - SinglePhaseCatalogNames {}; - -// Class specialization for a FLOW_SOLVER set to SinglePhaseFlow -template<> class SinglePhaseCatalogNames< SinglePhaseBase > -{ -public: - static string name() { return "SinglePhasePoromechanics"; } -}; -// Class specialization for a FLOW_SOLVER set to SinglePhaseReservoirAndWells -template<> class SinglePhaseCatalogNames< SinglePhaseReservoirAndWells< SinglePhaseBase > > -{ -public: - static string name() { return SinglePhaseReservoirAndWells< SinglePhaseBase >::catalogName() + "Poromechanics"; } -}; -} - -// provide a definition for catalogName() -template< typename FLOW_SOLVER, typename MECHANICS_SOLVER > -string -SinglePhasePoromechanics< FLOW_SOLVER, MECHANICS_SOLVER >:: -catalogName() -{ - return SinglePhaseCatalogNames< FLOW_SOLVER >::name(); -} - template< typename FLOW_SOLVER, typename MECHANICS_SOLVER > SinglePhasePoromechanics< FLOW_SOLVER, MECHANICS_SOLVER >::SinglePhasePoromechanics( const string & name, Group * const parent ) @@ -88,7 +56,7 @@ void SinglePhasePoromechanics< FLOW_SOLVER, MECHANICS_SOLVER >::postProcessInput { Base::postProcessInput(); - GEOS_ERROR_IF( this->flowSolver()->catalogName() == "SinglePhaseReservoir" && + GEOS_ERROR_IF( this->flowSolver()->getCatalogName() == "SinglePhaseReservoir" && this->getNonlinearSolverParameters().couplingType() != NonlinearSolverParameters::CouplingType::Sequential, GEOS_FMT( "{}: {} solver is only designed to work for {} = {}", this->getName(), catalogName(), NonlinearSolverParameters::viewKeysStruct::couplingTypeString(), @@ -278,6 +246,7 @@ void SinglePhasePoromechanics< FLOW_SOLVER, MECHANICS_SOLVER >::assembleElementB dt ); } ); + this->solidMechanicsSolver()->applyContactConstraint( dofManager, domain, localMatrix, localRhs ); this->solidMechanicsSolver()->getMaxForce() = LvArray::math::max( mechanicsMaxForce, poromechanicsMaxForce ); } diff --git a/src/coreComponents/physicsSolvers/multiphysics/SinglePhasePoromechanics.hpp b/src/coreComponents/physicsSolvers/multiphysics/SinglePhasePoromechanics.hpp index 58077a81cfe..113d4fc467f 100644 --- a/src/coreComponents/physicsSolvers/multiphysics/SinglePhasePoromechanics.hpp +++ b/src/coreComponents/physicsSolvers/multiphysics/SinglePhasePoromechanics.hpp @@ -20,7 +20,8 @@ #define GEOS_PHYSICSSOLVERS_MULTIPHYSICS_SINGLEPHASEPOROMECHANICS_HPP_ #include "physicsSolvers/multiphysics/PoromechanicsSolver.hpp" - +#include "physicsSolvers/fluidFlow/SinglePhaseBase.hpp" +#include "physicsSolvers/multiphysics/SinglePhaseReservoirAndWells.hpp" namespace geos { @@ -52,7 +53,18 @@ class SinglePhasePoromechanics : public PoromechanicsSolver< FLOW_SOLVER, MECHAN * @brief name of the node manager in the object catalog * @return string that contains the catalog name to generate a new SinglePhasePoromechanics object through the object catalog. */ - static string catalogName(); + static string catalogName() + { + if constexpr ( std::is_same_v< FLOW_SOLVER, SinglePhaseBase > ) // special case + { + return "SinglePhasePoromechanics"; + } + else // default + { + return FLOW_SOLVER::catalogName() + "Poromechanics"; + } + } + /** * @copydoc SolverBase::getCatalogName() */ diff --git a/src/coreComponents/physicsSolvers/multiphysics/SinglePhaseReservoirAndWells.cpp b/src/coreComponents/physicsSolvers/multiphysics/SinglePhaseReservoirAndWells.cpp index 871982d3787..e4de7d21414 100644 --- a/src/coreComponents/physicsSolvers/multiphysics/SinglePhaseReservoirAndWells.cpp +++ b/src/coreComponents/physicsSolvers/multiphysics/SinglePhaseReservoirAndWells.cpp @@ -33,46 +33,15 @@ namespace geos using namespace dataRepository; using namespace constitutive; -namespace -{ - -// This is meant to be specialized to work, see below -template< typename SINGLEPHASE_RESERVOIR_SOLVER > class - SinglePhaseCatalogNames {}; - -// Class specialization for a RESERVOIR_SOLVER set to SinglePhaseFlow -template<> class SinglePhaseCatalogNames< SinglePhaseBase > -{ -public: - // TODO: find a way to use the catalog name here - static string name() { return "SinglePhaseReservoir"; } -}; -// Class specialization for a RESERVOIR_SOLVER set to SinglePhasePoromechanics -template<> class SinglePhaseCatalogNames< SinglePhasePoromechanics< SinglePhaseBase > > -{ -public: - static string name() { return SinglePhasePoromechanics< SinglePhaseBase >::catalogName()+"Reservoir"; } -}; -} - -// provide a definition for catalogName() -template< typename SINGLEPHASE_RESERVOIR_SOLVER > -string -SinglePhaseReservoirAndWells< SINGLEPHASE_RESERVOIR_SOLVER >:: -catalogName() -{ - return SinglePhaseCatalogNames< SINGLEPHASE_RESERVOIR_SOLVER >::name(); -} - -template< typename SINGLEPHASE_RESERVOIR_SOLVER > -SinglePhaseReservoirAndWells< SINGLEPHASE_RESERVOIR_SOLVER >:: +template< typename RESERVOIR_SOLVER > +SinglePhaseReservoirAndWells< RESERVOIR_SOLVER >:: SinglePhaseReservoirAndWells( const string & name, Group * const parent ) : Base( name, parent ) {} -template< typename SINGLEPHASE_RESERVOIR_SOLVER > -SinglePhaseReservoirAndWells< SINGLEPHASE_RESERVOIR_SOLVER >:: +template< typename RESERVOIR_SOLVER > +SinglePhaseReservoirAndWells< RESERVOIR_SOLVER >:: ~SinglePhaseReservoirAndWells() {} @@ -97,12 +66,14 @@ void SinglePhaseReservoirAndWells< SinglePhaseBase >:: setMGRStrategy() { - if( flowSolver()->getLinearSolverParameters().mgr.strategy == LinearSolverParameters::MGR::StrategyType::singlePhaseReservoirHybridFVM ) + if( flowSolver()->getLinearSolverParameters().mgr.strategy == LinearSolverParameters::MGR::StrategyType::singlePhaseHybridFVM ) { + // add Reservoir m_linearSolverParameters.get().mgr.strategy = LinearSolverParameters::MGR::StrategyType::singlePhaseReservoirHybridFVM; } else { + // add Reservoir m_linearSolverParameters.get().mgr.strategy = LinearSolverParameters::MGR::StrategyType::singlePhaseReservoirFVM; } } @@ -112,19 +83,21 @@ void SinglePhaseReservoirAndWells< SinglePhasePoromechanics< SinglePhaseBase > >:: setMGRStrategy() { - if( flowSolver()->getLinearSolverParameters().mgr.strategy == LinearSolverParameters::MGR::StrategyType::singlePhaseReservoirHybridFVM ) + // flow solver here is indeed flow solver, not poromechanics solver + if( flowSolver()->getLinearSolverParameters().mgr.strategy == LinearSolverParameters::MGR::StrategyType::singlePhaseHybridFVM ) { - GEOS_LOG_RANK_0( "The MGR strategy for hybrid FVM is not implemented" ); + GEOS_LOG_RANK_0( "The poromechanics MGR strategy for hybrid FVM is not implemented" ); } else { + // add Reservoir m_linearSolverParameters.get().mgr.strategy = LinearSolverParameters::MGR::StrategyType::singlePhasePoromechanicsReservoirFVM; } } -template< typename SINGLEPHASE_RESERVOIR_SOLVER > +template< typename RESERVOIR_SOLVER > void -SinglePhaseReservoirAndWells< SINGLEPHASE_RESERVOIR_SOLVER >:: +SinglePhaseReservoirAndWells< RESERVOIR_SOLVER >:: initializePreSubGroups() { Base::initializePreSubGroups(); @@ -132,18 +105,18 @@ initializePreSubGroups() Base::wellSolver()->setFlowSolverName( flowSolver->getName() ); } -template< typename SINGLEPHASE_RESERVOIR_SOLVER > +template< typename RESERVOIR_SOLVER > void -SinglePhaseReservoirAndWells< SINGLEPHASE_RESERVOIR_SOLVER >:: +SinglePhaseReservoirAndWells< RESERVOIR_SOLVER >:: initializePostInitialConditionsPreSubGroups() { Base::initializePostInitialConditionsPreSubGroups(); setMGRStrategy(); } -template< typename SINGLEPHASE_RESERVOIR_SOLVER > +template< typename RESERVOIR_SOLVER > void -SinglePhaseReservoirAndWells< SINGLEPHASE_RESERVOIR_SOLVER >:: +SinglePhaseReservoirAndWells< RESERVOIR_SOLVER >:: addCouplingSparsityPattern( DomainPartition const & domain, DofManager const & dofManager, SparsityPatternView< globalIndex > const & pattern ) const @@ -234,9 +207,9 @@ addCouplingSparsityPattern( DomainPartition const & domain, } ); } -template< typename SINGLEPHASE_RESERVOIR_SOLVER > +template< typename RESERVOIR_SOLVER > void -SinglePhaseReservoirAndWells< SINGLEPHASE_RESERVOIR_SOLVER >:: +SinglePhaseReservoirAndWells< RESERVOIR_SOLVER >:: assembleCouplingTerms( real64 const time_n, real64 const dt, DomainPartition const & domain, diff --git a/src/coreComponents/physicsSolvers/multiphysics/SinglePhaseReservoirAndWells.hpp b/src/coreComponents/physicsSolvers/multiphysics/SinglePhaseReservoirAndWells.hpp index 2d1c5057c85..086a968f49d 100644 --- a/src/coreComponents/physicsSolvers/multiphysics/SinglePhaseReservoirAndWells.hpp +++ b/src/coreComponents/physicsSolvers/multiphysics/SinglePhaseReservoirAndWells.hpp @@ -26,13 +26,14 @@ namespace geos { -template< typename SINGLEPHASE_RESERVOIR_SOLVER > -class SinglePhaseReservoirAndWells : public CoupledReservoirAndWellsBase< SINGLEPHASE_RESERVOIR_SOLVER, +/// @tparam RESERVOIR_SOLVER single-phase flow or single-phase poromechanics solver +template< typename RESERVOIR_SOLVER > +class SinglePhaseReservoirAndWells : public CoupledReservoirAndWellsBase< RESERVOIR_SOLVER, SinglePhaseWell > { public: - using Base = CoupledReservoirAndWellsBase< SINGLEPHASE_RESERVOIR_SOLVER, + using Base = CoupledReservoirAndWellsBase< RESERVOIR_SOLVER, SinglePhaseWell >; using Base::m_solvers; using Base::m_linearSolverParameters; @@ -54,7 +55,18 @@ class SinglePhaseReservoirAndWells : public CoupledReservoirAndWellsBase< SINGLE * @brief name of the node manager in the object catalog * @return string that contains the catalog name to generate a new NodeManager object through the object catalog. */ - static string catalogName(); + static string catalogName() + { + if constexpr (std::is_same_v< RESERVOIR_SOLVER, SinglePhaseBase > ) // special case + { + return "SinglePhaseReservoir"; + } + else // default + { + return RESERVOIR_SOLVER::catalogName() + "Reservoir"; + } + } + /** * @copydoc SolverBase::getCatalogName() */ @@ -79,8 +91,8 @@ class SinglePhaseReservoirAndWells : public CoupledReservoirAndWellsBase< SINGLE arrayView1d< real64 > const & localRhs ) const { flowSolver()->assembleFluxTerms( dt, domain, dofManager, localMatrix, localRhs ); } - void keepFlowVariablesConstantDuringInitStep( bool const keepFlowVariablesConstantDuringInitStep ) - { flowSolver()->keepFlowVariablesConstantDuringInitStep( keepFlowVariablesConstantDuringInitStep ); } + void setKeepFlowVariablesConstantDuringInitStep( bool const keepFlowVariablesConstantDuringInitStep ) + { flowSolver()->setKeepFlowVariablesConstantDuringInitStep( keepFlowVariablesConstantDuringInitStep ); } void updateFluidState( ElementSubRegionBase & subRegion ) const { flowSolver()->updateFluidState( subRegion ); } diff --git a/src/coreComponents/physicsSolvers/solidMechanics/SolidMechanicsLagrangianFEM.cpp b/src/coreComponents/physicsSolvers/solidMechanics/SolidMechanicsLagrangianFEM.cpp index 92faf16b5b5..b7e02bf0c41 100644 --- a/src/coreComponents/physicsSolvers/solidMechanics/SolidMechanicsLagrangianFEM.cpp +++ b/src/coreComponents/physicsSolvers/solidMechanics/SolidMechanicsLagrangianFEM.cpp @@ -1243,8 +1243,8 @@ SolidMechanicsLagrangianFEM:: MpiWrapper::bcast( globalResidualNorm, 2, 0, MPI_COMM_GEOSX ); - real64 const residual = sqrt( globalResidualNorm[0] )/(globalResidualNorm[1]+1); // the + 1 is for the first - // time-step when maxForce = 0; + real64 const residual = sqrt( globalResidualNorm[0] ) / ( globalResidualNorm[1] + 1 ); // the + 1 is for the first + // time-step when maxForce = 0; totalResidualNorm = std::max( residual, totalResidualNorm ); } ); diff --git a/src/coreComponents/physicsSolvers/solidMechanics/SolidMechanicsLagrangianFEM.hpp b/src/coreComponents/physicsSolvers/solidMechanics/SolidMechanicsLagrangianFEM.hpp index d7bf9af216b..dc24a47e941 100644 --- a/src/coreComponents/physicsSolvers/solidMechanics/SolidMechanicsLagrangianFEM.hpp +++ b/src/coreComponents/physicsSolvers/solidMechanics/SolidMechanicsLagrangianFEM.hpp @@ -262,6 +262,7 @@ class SolidMechanicsLagrangianFEM : public SolverBase } real64 & getMaxForce() { return m_maxForce; } + real64 const & getMaxForce() const { return m_maxForce; } arrayView1d< ParallelVector > const & getRigidBodyModes() const { diff --git a/src/coreComponents/physicsSolvers/wavePropagation/AcousticFirstOrderWaveEquationSEM.cpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/firstOrderEqn/isotropic/AcousticFirstOrderWaveEquationSEM.cpp similarity index 98% rename from src/coreComponents/physicsSolvers/wavePropagation/AcousticFirstOrderWaveEquationSEM.cpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/firstOrderEqn/isotropic/AcousticFirstOrderWaveEquationSEM.cpp index 39c8fdfad81..4935ac3e1eb 100644 --- a/src/coreComponents/physicsSolvers/wavePropagation/AcousticFirstOrderWaveEquationSEM.cpp +++ b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/firstOrderEqn/isotropic/AcousticFirstOrderWaveEquationSEM.cpp @@ -26,9 +26,9 @@ #include "mainInterface/ProblemManager.hpp" #include "mesh/ElementType.hpp" #include "mesh/mpiCommunications/CommunicationTools.hpp" +#include "physicsSolvers/wavePropagation/sem/acoustic/shared/AcousticMatricesSEMKernel.hpp" +#include "physicsSolvers/wavePropagation/shared/PrecomputeSourcesAndReceiversKernel.hpp" #include "events/EventManager.hpp" -#include "AcousticMatricesSEMKernel.hpp" -#include "PrecomputeSourcesAndReceiversKernel.hpp" namespace geos { @@ -148,7 +148,7 @@ void AcousticFirstOrderWaveEquationSEM::postProcessInput() m_uzNp1AtReceivers.resize( m_nsamplesSeismoTrace, numReceiversGlobal + 1 ); m_sourceElem.resize( numSourcesGlobal ); m_sourceRegion.resize( numSourcesGlobal ); - m_rcvElem.resize( numReceiversGlobal ); + m_receiverElem.resize( numReceiversGlobal ); m_receiverRegion.resize( numReceiversGlobal ); } @@ -176,7 +176,7 @@ void AcousticFirstOrderWaveEquationSEM::precomputeSourceAndReceiverTerm( MeshLev arrayView2d< localIndex > const receiverNodeIds = m_receiverNodeIds.toView(); arrayView2d< real64 > const receiverConstants = m_receiverConstants.toView(); arrayView1d< localIndex > const receiverIsLocal = m_receiverIsLocal.toView(); - arrayView1d< localIndex > const rcvElem = m_rcvElem.toView(); + arrayView1d< localIndex > const receiverElem = m_receiverElem.toView(); arrayView1d< localIndex > const receiverRegion = m_receiverRegion.toView(); receiverNodeIds.setValues< EXEC_POLICY >( -1 ); receiverConstants.setValues< EXEC_POLICY >( -1 ); @@ -235,7 +235,7 @@ void AcousticFirstOrderWaveEquationSEM::precomputeSourceAndReceiverTerm( MeshLev sourceRegion, receiverCoordinates, receiverIsLocal, - rcvElem, + receiverElem, receiverNodeIds, receiverConstants, receiverRegion, diff --git a/src/coreComponents/physicsSolvers/wavePropagation/AcousticFirstOrderWaveEquationSEM.hpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/firstOrderEqn/isotropic/AcousticFirstOrderWaveEquationSEM.hpp similarity index 97% rename from src/coreComponents/physicsSolvers/wavePropagation/AcousticFirstOrderWaveEquationSEM.hpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/firstOrderEqn/isotropic/AcousticFirstOrderWaveEquationSEM.hpp index 14a6dc502ae..eba7dc066c0 100644 --- a/src/coreComponents/physicsSolvers/wavePropagation/AcousticFirstOrderWaveEquationSEM.hpp +++ b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/firstOrderEqn/isotropic/AcousticFirstOrderWaveEquationSEM.hpp @@ -21,8 +21,8 @@ #define GEOS_PHYSICSSOLVERS_WAVEPROPAGATION_ACOUSTICFIRSTORDERWAVEEQUATIONSEM_HPP_ #include "mesh/MeshFields.hpp" -#include "AcousticFields.hpp" -#include "WaveSolverBase.hpp" +#include "physicsSolvers/wavePropagation/sem/acoustic/shared/AcousticFields.hpp" +#include "physicsSolvers/wavePropagation/shared/WaveSolverBase.hpp" namespace geos { diff --git a/src/coreComponents/physicsSolvers/wavePropagation/AcousticFirstOrderWaveEquationSEMKernel.hpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/firstOrderEqn/isotropic/AcousticFirstOrderWaveEquationSEMKernel.hpp similarity index 99% rename from src/coreComponents/physicsSolvers/wavePropagation/AcousticFirstOrderWaveEquationSEMKernel.hpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/firstOrderEqn/isotropic/AcousticFirstOrderWaveEquationSEMKernel.hpp index 3688f49df86..744e288fd87 100644 --- a/src/coreComponents/physicsSolvers/wavePropagation/AcousticFirstOrderWaveEquationSEMKernel.hpp +++ b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/firstOrderEqn/isotropic/AcousticFirstOrderWaveEquationSEMKernel.hpp @@ -20,9 +20,6 @@ #define GEOS_PHYSICSSOLVERS_WAVEPROPAGATION_ACOUSTICFIRSTTORDERWAVEEQUATIONSEMKERNEL_HPP_ #include "finiteElement/kernelInterface/KernelBase.hpp" -#include "WaveSolverUtils.hpp" - - namespace geos { @@ -47,6 +44,7 @@ struct VelocityComputation * @param[in] nodeCoords coordinates of the nodes * @param[in] elemsToNodes map from element to nodes * @param[in] p_np1 pressure array (only used here) + * @param[in] density cell-wise density * @param[in] dt time-step * @param[out] velocity_x velocity array in the x direction (updated here) * @param[out] velocity_y velocity array in the y direction (updated here) diff --git a/src/coreComponents/physicsSolvers/wavePropagation/AcousticVTIFields.hpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/secondOrderEqn/anisotropic/AcousticVTIFields.hpp similarity index 100% rename from src/coreComponents/physicsSolvers/wavePropagation/AcousticVTIFields.hpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/secondOrderEqn/anisotropic/AcousticVTIFields.hpp diff --git a/src/coreComponents/physicsSolvers/wavePropagation/AcousticVTIWaveEquationSEM.cpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/secondOrderEqn/anisotropic/AcousticVTIWaveEquationSEM.cpp similarity index 99% rename from src/coreComponents/physicsSolvers/wavePropagation/AcousticVTIWaveEquationSEM.cpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/secondOrderEqn/anisotropic/AcousticVTIWaveEquationSEM.cpp index b036542b61d..5f9497ffc37 100644 --- a/src/coreComponents/physicsSolvers/wavePropagation/AcousticVTIWaveEquationSEM.cpp +++ b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/secondOrderEqn/anisotropic/AcousticVTIWaveEquationSEM.cpp @@ -26,9 +26,9 @@ #include "mainInterface/ProblemManager.hpp" #include "mesh/ElementType.hpp" #include "mesh/mpiCommunications/CommunicationTools.hpp" +#include "physicsSolvers/wavePropagation/shared/WaveSolverUtils.hpp" +#include "physicsSolvers/wavePropagation/sem/acoustic/shared/AcousticTimeSchemeSEMKernel.hpp" #include "events/EventManager.hpp" -#include "WaveSolverUtils.hpp" -#include "AcousticTimeSchemeSEMKernel.hpp" namespace geos { diff --git a/src/coreComponents/physicsSolvers/wavePropagation/AcousticVTIWaveEquationSEM.hpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/secondOrderEqn/anisotropic/AcousticVTIWaveEquationSEM.hpp similarity index 97% rename from src/coreComponents/physicsSolvers/wavePropagation/AcousticVTIWaveEquationSEM.hpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/secondOrderEqn/anisotropic/AcousticVTIWaveEquationSEM.hpp index 932568e3f6e..712104350de 100644 --- a/src/coreComponents/physicsSolvers/wavePropagation/AcousticVTIWaveEquationSEM.hpp +++ b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/secondOrderEqn/anisotropic/AcousticVTIWaveEquationSEM.hpp @@ -22,8 +22,8 @@ #include "mesh/MeshFields.hpp" #include "physicsSolvers/SolverBase.hpp" -#include "WaveSolverBase.hpp" -#include "AcousticFields.hpp" +#include "physicsSolvers/wavePropagation/shared/WaveSolverBase.hpp" +#include "physicsSolvers/wavePropagation/sem/acoustic/shared/AcousticFields.hpp" #include "AcousticVTIFields.hpp" namespace geos diff --git a/src/coreComponents/physicsSolvers/wavePropagation/AcousticVTIWaveEquationSEMKernel.hpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/secondOrderEqn/anisotropic/AcousticVTIWaveEquationSEMKernel.hpp similarity index 99% rename from src/coreComponents/physicsSolvers/wavePropagation/AcousticVTIWaveEquationSEMKernel.hpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/secondOrderEqn/anisotropic/AcousticVTIWaveEquationSEMKernel.hpp index 72cd2da8d73..1f9f15608a1 100644 --- a/src/coreComponents/physicsSolvers/wavePropagation/AcousticVTIWaveEquationSEMKernel.hpp +++ b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/secondOrderEqn/anisotropic/AcousticVTIWaveEquationSEMKernel.hpp @@ -21,7 +21,7 @@ #include "finiteElement/elementFormulations/Qk_Hexahedron_Lagrange_GaussLobatto.hpp" #include "finiteElement/kernelInterface/KernelBase.hpp" -#include "WaveSolverUtils.hpp" +#include "physicsSolvers/wavePropagation/shared/WaveSolverUtils.hpp" #include "AcousticVTIFields.hpp" namespace geos diff --git a/src/coreComponents/physicsSolvers/wavePropagation/AcousticPMLSEMKernel.hpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/secondOrderEqn/isotropic/AcousticPMLSEMKernel.hpp similarity index 100% rename from src/coreComponents/physicsSolvers/wavePropagation/AcousticPMLSEMKernel.hpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/secondOrderEqn/isotropic/AcousticPMLSEMKernel.hpp diff --git a/src/coreComponents/physicsSolvers/wavePropagation/AcousticWaveEquationSEM.cpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/secondOrderEqn/isotropic/AcousticWaveEquationSEM.cpp similarity index 96% rename from src/coreComponents/physicsSolvers/wavePropagation/AcousticWaveEquationSEM.cpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/secondOrderEqn/isotropic/AcousticWaveEquationSEM.cpp index f8404f01964..a6171a8028c 100644 --- a/src/coreComponents/physicsSolvers/wavePropagation/AcousticWaveEquationSEM.cpp +++ b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/secondOrderEqn/isotropic/AcousticWaveEquationSEM.cpp @@ -26,12 +26,12 @@ #include "mainInterface/ProblemManager.hpp" #include "mesh/ElementType.hpp" #include "mesh/mpiCommunications/CommunicationTools.hpp" +#include "physicsSolvers/wavePropagation/shared/WaveSolverUtils.hpp" +#include "physicsSolvers/wavePropagation/sem/acoustic/shared/AcousticTimeSchemeSEMKernel.hpp" +#include "physicsSolvers/wavePropagation/sem/acoustic/shared/AcousticMatricesSEMKernel.hpp" #include "events/EventManager.hpp" -#include "WaveSolverUtils.hpp" -#include "AcousticTimeSchemeSEMKernel.hpp" -#include "AcousticMatricesSEMKernel.hpp" #include "AcousticPMLSEMKernel.hpp" -#include "PrecomputeSourcesAndReceiversKernel.hpp" +#include "physicsSolvers/wavePropagation/shared/PrecomputeSourcesAndReceiversKernel.hpp" namespace geos { @@ -299,14 +299,6 @@ void AcousticWaveEquationSEM::initializePostInitialConditionsPreSubGroups() { using FE_TYPE = TYPEOFREF( finiteElement ); - // acousticWaveEquationSEMKernels::MassMatrixKernel< FE_TYPE > kernelM( finiteElement ); - // kernelM.template launch< EXEC_POLICY, ATOMIC_POLICY >( elementSubRegion.size(), - // nodeCoords, - // elemsToNodes, - // velocity, - // density, - // mass ); - AcousticMatricesSEM::MassMatrix< FE_TYPE > kernelM( finiteElement ); kernelM.template computeMassMatrix< EXEC_POLICY, ATOMIC_POLICY >( elementSubRegion.size(), nodeCoords, @@ -326,24 +318,6 @@ void AcousticWaveEquationSEM::initializePostInitialConditionsPreSubGroups() density, damping ); - //AcousticMatricesSEM::computeDampingMatrix(finiteElement, - // elementSubRegion.size(), - // - // - // - // - // - // - // nodeCoords, - // elemsToFaces, - // facesToNodes, - // facesDomainBoundaryIndicator, - // freeSurfaceFaceIndicator, - // velocity, - // density, - //damping ); - - } ); } ); @@ -374,9 +348,6 @@ void AcousticWaveEquationSEM::applyFreeSurfaceBC( real64 time, DomainPartition & /// array of indicators: 1 if a node is on on free surface; 0 otherwise arrayView1d< localIndex > const freeSurfaceNodeIndicator = nodeManager.getField< acousticfields::AcousticFreeSurfaceNodeIndicator >(); - // freeSurfaceFaceIndicator.zero(); - // freeSurfaceNodeIndicator.zero(); - fsManager.apply< FaceManager >( time, domain.getMeshBody( 0 ).getMeshLevel( m_discretizationName ), string( "FreeSurface" ), diff --git a/src/coreComponents/physicsSolvers/wavePropagation/AcousticWaveEquationSEM.hpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/secondOrderEqn/isotropic/AcousticWaveEquationSEM.hpp similarity index 97% rename from src/coreComponents/physicsSolvers/wavePropagation/AcousticWaveEquationSEM.hpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/secondOrderEqn/isotropic/AcousticWaveEquationSEM.hpp index 9396a8201bf..d8d7e6fc981 100644 --- a/src/coreComponents/physicsSolvers/wavePropagation/AcousticWaveEquationSEM.hpp +++ b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/secondOrderEqn/isotropic/AcousticWaveEquationSEM.hpp @@ -20,10 +20,10 @@ #ifndef GEOS_PHYSICSSOLVERS_WAVEPROPAGATION_ACOUSTICWAVEEQUATIONSEM_HPP_ #define GEOS_PHYSICSSOLVERS_WAVEPROPAGATION_ACOUSTICWAVEEQUATIONSEM_HPP_ -#include "WaveSolverBase.hpp" +#include "physicsSolvers/wavePropagation/shared/WaveSolverBase.hpp" #include "mesh/MeshFields.hpp" #include "physicsSolvers/SolverBase.hpp" -#include "AcousticFields.hpp" +#include "physicsSolvers/wavePropagation/sem/acoustic/shared/AcousticFields.hpp" namespace geos { diff --git a/src/coreComponents/physicsSolvers/wavePropagation/AcousticWaveEquationSEMKernel.hpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/secondOrderEqn/isotropic/AcousticWaveEquationSEMKernel.hpp similarity index 98% rename from src/coreComponents/physicsSolvers/wavePropagation/AcousticWaveEquationSEMKernel.hpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/secondOrderEqn/isotropic/AcousticWaveEquationSEMKernel.hpp index ddf9b731f6f..60b3bfe56c1 100644 --- a/src/coreComponents/physicsSolvers/wavePropagation/AcousticWaveEquationSEMKernel.hpp +++ b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/secondOrderEqn/isotropic/AcousticWaveEquationSEMKernel.hpp @@ -20,11 +20,11 @@ #define GEOS_PHYSICSSOLVERS_WAVEPROPAGATION_ACOUSTICWAVEEQUATIONSEMKERNEL_HPP_ #include "finiteElement/kernelInterface/KernelBase.hpp" -#include "WaveSolverUtils.hpp" +#include "physicsSolvers/wavePropagation/shared/WaveSolverUtils.hpp" #if !defined( GEOS_USE_HIP ) #include "finiteElement/elementFormulations/Qk_Hexahedron_Lagrange_GaussLobatto.hpp" #endif -#include "AcousticFields.hpp" +#include "physicsSolvers/wavePropagation/sem/acoustic/shared/AcousticFields.hpp" namespace geos { diff --git a/src/coreComponents/physicsSolvers/wavePropagation/AcousticFields.hpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/shared/AcousticFields.hpp similarity index 99% rename from src/coreComponents/physicsSolvers/wavePropagation/AcousticFields.hpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/shared/AcousticFields.hpp index 903809d893b..8901bea6a47 100644 --- a/src/coreComponents/physicsSolvers/wavePropagation/AcousticFields.hpp +++ b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/shared/AcousticFields.hpp @@ -141,7 +141,7 @@ DECLARE_FIELD( AcousticVelocity, DECLARE_FIELD( AcousticDensity, "acousticDensity", array1d< real32 >, - 0, + 1, NOPLOT, WRITE_AND_READ, "Medium density of the cell" ); diff --git a/src/coreComponents/physicsSolvers/wavePropagation/AcousticMatricesSEMKernel.hpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/shared/AcousticMatricesSEMKernel.hpp similarity index 100% rename from src/coreComponents/physicsSolvers/wavePropagation/AcousticMatricesSEMKernel.hpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/shared/AcousticMatricesSEMKernel.hpp diff --git a/src/coreComponents/physicsSolvers/wavePropagation/AcousticTimeSchemeSEMKernel.hpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/shared/AcousticTimeSchemeSEMKernel.hpp similarity index 100% rename from src/coreComponents/physicsSolvers/wavePropagation/AcousticTimeSchemeSEMKernel.hpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/acoustic/shared/AcousticTimeSchemeSEMKernel.hpp diff --git a/src/coreComponents/physicsSolvers/wavePropagation/AcousticElasticWaveEquationSEM.cpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustoelastic/secondOrderEqn/isotropic/AcousticElasticWaveEquationSEM.cpp similarity index 100% rename from src/coreComponents/physicsSolvers/wavePropagation/AcousticElasticWaveEquationSEM.cpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/acoustoelastic/secondOrderEqn/isotropic/AcousticElasticWaveEquationSEM.cpp diff --git a/src/coreComponents/physicsSolvers/wavePropagation/AcousticElasticWaveEquationSEM.hpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustoelastic/secondOrderEqn/isotropic/AcousticElasticWaveEquationSEM.hpp similarity index 96% rename from src/coreComponents/physicsSolvers/wavePropagation/AcousticElasticWaveEquationSEM.hpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/acoustoelastic/secondOrderEqn/isotropic/AcousticElasticWaveEquationSEM.hpp index 54e8a22a352..31a5a2d7969 100644 --- a/src/coreComponents/physicsSolvers/wavePropagation/AcousticElasticWaveEquationSEM.hpp +++ b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustoelastic/secondOrderEqn/isotropic/AcousticElasticWaveEquationSEM.hpp @@ -20,8 +20,8 @@ #ifndef SRC_CORECOMPONENTS_PHYSICSSOLVERS_WAVEPROPAGATION_ACOUSTICELASTICWAVEEQUATIONSEM_HPP_ #define SRC_CORECOMPONENTS_PHYSICSSOLVERS_WAVEPROPAGATION_ACOUSTICELASTICWAVEEQUATIONSEM_HPP_ -#include "physicsSolvers/wavePropagation/ElasticWaveEquationSEM.hpp" -#include "physicsSolvers/wavePropagation/AcousticWaveEquationSEM.hpp" +#include "physicsSolvers/wavePropagation/sem/elastic/secondOrderEqn/isotropic/ElasticWaveEquationSEM.hpp" +#include "physicsSolvers/wavePropagation/sem/acoustic/secondOrderEqn/isotropic/AcousticWaveEquationSEM.hpp" #include "physicsSolvers/SolverBase.hpp" #include "AcoustoElasticFields.hpp" #include diff --git a/src/coreComponents/physicsSolvers/wavePropagation/AcousticElasticWaveEquationSEMKernel.hpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustoelastic/secondOrderEqn/isotropic/AcousticElasticWaveEquationSEMKernel.hpp similarity index 81% rename from src/coreComponents/physicsSolvers/wavePropagation/AcousticElasticWaveEquationSEMKernel.hpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/acoustoelastic/secondOrderEqn/isotropic/AcousticElasticWaveEquationSEMKernel.hpp index 91c9ed8a99b..8a9db1426a4 100644 --- a/src/coreComponents/physicsSolvers/wavePropagation/AcousticElasticWaveEquationSEMKernel.hpp +++ b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustoelastic/secondOrderEqn/isotropic/AcousticElasticWaveEquationSEMKernel.hpp @@ -37,6 +37,26 @@ struct CouplingKernel { static constexpr localIndex numNodesPerFace = FE_TYPE::numNodesPerFace; + + /** + * @brief Launches the computation of the coupling vector + * @tparam EXEC_POLICY the execution policy + * @tparam ATOMIC_POLICY the atomic policy + * @param[in] size the number of faces + * @param[in] nodeCoords coordinates of the nodes + * @param[in] fluidRegionIndex Acoustic region + * @param[in] fluidSubRegionIndex Acoustic subregion + * @param[in] faceToSubRegion Array which gives you the subregion on which the face belongs + * @param[in] faceToRegion Array which gives you the region on which the face belongs + * @param[in] faceToElement Array which gives you the element on which the face belongs + * @param[in] facesToNodes Array which gives the nodes on the mesh knowing the face and the local node on an element + * @param[in] faceNormal Normals of the faces + * @param[in] faceCenters Centers of the faces + * @param[in] elemCenters Centers of the elements + * @param[out] couplingVectorx x-component of the coupling vector + * @param[out] couplingVectory y-component of the coupling vector + * @param[out] couplingVectorz z-component of the coupling vector + */ template< typename EXEC_POLICY, typename ATOMIC_POLICY > void launch( localIndex const size, diff --git a/src/coreComponents/physicsSolvers/wavePropagation/AcoustoElasticFields.hpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustoelastic/secondOrderEqn/isotropic/AcoustoElasticFields.hpp similarity index 100% rename from src/coreComponents/physicsSolvers/wavePropagation/AcoustoElasticFields.hpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/acoustoelastic/secondOrderEqn/isotropic/AcoustoElasticFields.hpp diff --git a/src/coreComponents/physicsSolvers/wavePropagation/AcoustoElasticTimeSchemeSEMKernel.hpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/acoustoelastic/secondOrderEqn/isotropic/AcoustoElasticTimeSchemeSEMKernel.hpp similarity index 100% rename from src/coreComponents/physicsSolvers/wavePropagation/AcoustoElasticTimeSchemeSEMKernel.hpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/acoustoelastic/secondOrderEqn/isotropic/AcoustoElasticTimeSchemeSEMKernel.hpp diff --git a/src/coreComponents/physicsSolvers/wavePropagation/ElasticFirstOrderWaveEquationSEM.cpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/elastic/firstOrderEqn/isotropic/ElasticFirstOrderWaveEquationSEM.cpp similarity index 99% rename from src/coreComponents/physicsSolvers/wavePropagation/ElasticFirstOrderWaveEquationSEM.cpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/elastic/firstOrderEqn/isotropic/ElasticFirstOrderWaveEquationSEM.cpp index 44ccacc6b9b..a546c6b4821 100644 --- a/src/coreComponents/physicsSolvers/wavePropagation/ElasticFirstOrderWaveEquationSEM.cpp +++ b/src/coreComponents/physicsSolvers/wavePropagation/sem/elastic/firstOrderEqn/isotropic/ElasticFirstOrderWaveEquationSEM.cpp @@ -25,9 +25,9 @@ #include "mainInterface/ProblemManager.hpp" #include "mesh/ElementType.hpp" #include "mesh/mpiCommunications/CommunicationTools.hpp" +#include "physicsSolvers/wavePropagation/sem/elastic/shared/ElasticMatricesSEMKernel.hpp" +#include "physicsSolvers/wavePropagation/shared/PrecomputeSourcesAndReceiversKernel.hpp" #include "events/EventManager.hpp" -#include "ElasticMatricesSEMKernel.hpp" -#include "PrecomputeSourcesAndReceiversKernel.hpp" namespace geos { @@ -185,7 +185,7 @@ void ElasticFirstOrderWaveEquationSEM::postProcessInput() m_sourceRegion.resize( numSourcesGlobal ); localIndex const numReceiversGlobal = m_receiverCoordinates.size( 0 ); - m_rcvElem.resize( numReceiversGlobal ); + m_receiverElem.resize( numReceiversGlobal ); m_receiverRegion.resize( numReceiversGlobal ); m_displacementxNp1AtReceivers.resize( m_nsamplesSeismoTrace, numReceiversGlobal + 1 ); @@ -224,7 +224,7 @@ void ElasticFirstOrderWaveEquationSEM::precomputeSourceAndReceiverTerm( MeshLeve arrayView2d< localIndex > const receiverNodeIds = m_receiverNodeIds.toView(); arrayView2d< real64 > const receiverConstants = m_receiverConstants.toView(); arrayView1d< localIndex > const receiverIsLocal = m_receiverIsLocal.toView(); - arrayView1d< localIndex > const rcvElem = m_rcvElem.toView(); + arrayView1d< localIndex > const receiverElem = m_receiverElem.toView(); arrayView1d< localIndex > const receiverRegion = m_receiverRegion.toView(); receiverNodeIds.setValues< serialPolicy >( -1 ); @@ -286,7 +286,7 @@ void ElasticFirstOrderWaveEquationSEM::precomputeSourceAndReceiverTerm( MeshLeve sourceRegion, receiverCoordinates, receiverIsLocal, - rcvElem, + receiverElem, receiverNodeIds, receiverConstants, receiverRegion, diff --git a/src/coreComponents/physicsSolvers/wavePropagation/ElasticFirstOrderWaveEquationSEM.hpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/elastic/firstOrderEqn/isotropic/ElasticFirstOrderWaveEquationSEM.hpp similarity index 98% rename from src/coreComponents/physicsSolvers/wavePropagation/ElasticFirstOrderWaveEquationSEM.hpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/elastic/firstOrderEqn/isotropic/ElasticFirstOrderWaveEquationSEM.hpp index b96d8697412..dc9939f117b 100644 --- a/src/coreComponents/physicsSolvers/wavePropagation/ElasticFirstOrderWaveEquationSEM.hpp +++ b/src/coreComponents/physicsSolvers/wavePropagation/sem/elastic/firstOrderEqn/isotropic/ElasticFirstOrderWaveEquationSEM.hpp @@ -21,8 +21,8 @@ #define SRC_CORECOMPONENTS_PHYSICSSOLVERS_WAVEPROPAGATION_ELASTICFIRSTORDERWAVEEQUATIONSEM_HPP_ #include "mesh/MeshFields.hpp" -#include "ElasticFields.hpp" -#include "WaveSolverBase.hpp" +#include "physicsSolvers/wavePropagation/sem/elastic/shared/ElasticFields.hpp" +#include "physicsSolvers/wavePropagation/shared/WaveSolverBase.hpp" namespace geos diff --git a/src/coreComponents/physicsSolvers/wavePropagation/ElasticFirstOrderWaveEquationSEMKernel.hpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/elastic/firstOrderEqn/isotropic/ElasticFirstOrderWaveEquationSEMKernel.hpp similarity index 80% rename from src/coreComponents/physicsSolvers/wavePropagation/ElasticFirstOrderWaveEquationSEMKernel.hpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/elastic/firstOrderEqn/isotropic/ElasticFirstOrderWaveEquationSEMKernel.hpp index 644b7650670..e831ecf902b 100644 --- a/src/coreComponents/physicsSolvers/wavePropagation/ElasticFirstOrderWaveEquationSEMKernel.hpp +++ b/src/coreComponents/physicsSolvers/wavePropagation/sem/elastic/firstOrderEqn/isotropic/ElasticFirstOrderWaveEquationSEMKernel.hpp @@ -20,7 +20,7 @@ #define GEOS_PHYSICSSOLVERS_WAVEPROPAGATION_ELASTICFIRSTORDERWAVEEQUATIONSEMKERNEL_HPP_ #include "finiteElement/kernelInterface/KernelBase.hpp" -#include "WaveSolverUtils.hpp" +#include "physicsSolvers/wavePropagation/shared/WaveSolverUtils.hpp" namespace geos @@ -39,7 +39,33 @@ struct StressComputation {} /** - * Add comments + * @brief Launches the computation of the strain tensor for one iteration + * @tparam EXEC_POLICY the execution policy + * @tparam ATOMIC_POLICY the atomic policy + * @param[in] size the number of cells in the subRegion + * @param[in] regionIndex Index of the subregion + * @param[in] nodeCoords coordinates of the nodes + * @param[in] elemsToNodes map from element to nodes + * @param[in] ux_np1 displacement array in the x direction (only used here) + * @param[in] uy_np1 displacement array in the y direction (only used here) + * @param[in] uz_np1 displacement array in the z direction (only used here) + * @param[in] velocityVp P-wavespeed array + * @param[in] velocityVs S-wavespeed array + * @param[in] lambda lambda (Lamé parameter) array + * @param[in] mu mu (Lamé parameter) array + * @param[in] sourceConstants constant part of the source terms + * @param[in] sourceIsLocal flag indicating whether the source is accessible or not + * @param[in] sourceElem element where a source is located + * @param[in] sourceRegion region where the source is located + * @param[in] sourceValue value of the temporal source (eg. Ricker) + * @param[in] dt time-step + * @param[in] cycleNumber the number of cycle + * @param[out] stressxx xx-component of the strain tensor array (updated here) + * @param[out] stressyy yy-component of the strain tensor array (updated here) + * @param[out] stresszz zz-component of the strain tensor array (updated here) + * @param[out] stressxy xy-component of the strain tensor array (updated here) + * @param[out] stressxz xz-component of the strain tensor array (updated here) + * @param[out] stressyz yz-component of the strain tensor array (updated here) */ template< typename EXEC_POLICY, typename ATOMIC_POLICY > @@ -215,7 +241,27 @@ struct VelocityComputation {} /** - * add doc + * @brief Launches the computation of the displacement for one iteration + * @tparam EXEC_POLICY the execution policy + * @tparam ATOMIC_POLICY the atomic policy + * @param[in] size the number of cells in the subRegion + * @param[in] size_node the number of nodes in the subRegion + * @param[in] nodeCoords coordinates of the nodes + * @param[in] elemsToNodes map from element to nodes + * @param[out] stressxx xx-component of the strain tensor array (only used here) + * @param[out] stressyy yy-component of the strain tensor array (only used here) + * @param[out] stresszz zz-component of the strain tensor array (only used here) + * @param[out] stressxy xy-component of the strain tensor array (only used here) + * @param[out] stressxz xz-component of the strain tensor array (only used here) + * @param[out] stressyz yz-component of the strain tensor array (only used here) + * @param[in] mass the mass matrix + * @param[in] dampingx the damping (x-component) matrix + * @param[in] dampingy the damping for (y-component) matrix + * @param[in] dampingz the damping for (z-component) matrix + * @param[in] dt time-step + * @param[in] ux_np1 displacement array in the x direction (updated here) + * @param[in] uy_np1 displacement array in the y direction (updated here) + * @param[in] uz_np1 displacement array in the z direction (updated here) */ template< typename EXEC_POLICY, typename ATOMIC_POLICY > diff --git a/src/coreComponents/physicsSolvers/wavePropagation/ElasticWaveEquationSEM.cpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/elastic/secondOrderEqn/isotropic/ElasticWaveEquationSEM.cpp similarity index 99% rename from src/coreComponents/physicsSolvers/wavePropagation/ElasticWaveEquationSEM.cpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/elastic/secondOrderEqn/isotropic/ElasticWaveEquationSEM.cpp index 85b409ccfa1..a85c110da48 100644 --- a/src/coreComponents/physicsSolvers/wavePropagation/ElasticWaveEquationSEM.cpp +++ b/src/coreComponents/physicsSolvers/wavePropagation/sem/elastic/secondOrderEqn/isotropic/ElasticWaveEquationSEM.cpp @@ -25,11 +25,11 @@ #include "mainInterface/ProblemManager.hpp" #include "mesh/ElementType.hpp" #include "mesh/mpiCommunications/CommunicationTools.hpp" +#include "physicsSolvers/wavePropagation/shared/WaveSolverUtils.hpp" +#include "physicsSolvers/wavePropagation/shared/PrecomputeSourcesAndReceiversKernel.hpp" +#include "physicsSolvers/wavePropagation/sem/elastic/shared/ElasticTimeSchemeSEMKernel.hpp" +#include "physicsSolvers/wavePropagation/sem/elastic/shared/ElasticMatricesSEMKernel.hpp" #include "events/EventManager.hpp" -#include "WaveSolverUtils.hpp" -#include "ElasticTimeSchemeSEMKernel.hpp" -#include "ElasticMatricesSEMKernel.hpp" -#include "PrecomputeSourcesAndReceiversKernel.hpp" namespace geos { diff --git a/src/coreComponents/physicsSolvers/wavePropagation/ElasticWaveEquationSEM.hpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/elastic/secondOrderEqn/isotropic/ElasticWaveEquationSEM.hpp similarity index 98% rename from src/coreComponents/physicsSolvers/wavePropagation/ElasticWaveEquationSEM.hpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/elastic/secondOrderEqn/isotropic/ElasticWaveEquationSEM.hpp index 74d58e3cfd0..834e9783fff 100644 --- a/src/coreComponents/physicsSolvers/wavePropagation/ElasticWaveEquationSEM.hpp +++ b/src/coreComponents/physicsSolvers/wavePropagation/sem/elastic/secondOrderEqn/isotropic/ElasticWaveEquationSEM.hpp @@ -20,10 +20,10 @@ #ifndef SRC_CORECOMPONENTS_PHYSICSSOLVERS_WAVEPROPAGATION_ELASTICWAVEEQUATIONSEM_HPP_ #define SRC_CORECOMPONENTS_PHYSICSSOLVERS_WAVEPROPAGATION_ELASTICWAVEEQUATIONSEM_HPP_ -#include "WaveSolverBase.hpp" +#include "physicsSolvers/wavePropagation/shared/WaveSolverBase.hpp" #include "mesh/MeshFields.hpp" #include "physicsSolvers/SolverBase.hpp" -#include "ElasticFields.hpp" +#include "physicsSolvers/wavePropagation/sem/elastic/shared/ElasticFields.hpp" namespace geos { diff --git a/src/coreComponents/physicsSolvers/wavePropagation/ElasticWaveEquationSEMKernel.hpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/elastic/secondOrderEqn/isotropic/ElasticWaveEquationSEMKernel.hpp similarity index 98% rename from src/coreComponents/physicsSolvers/wavePropagation/ElasticWaveEquationSEMKernel.hpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/elastic/secondOrderEqn/isotropic/ElasticWaveEquationSEMKernel.hpp index 8518444a746..b8e69242e9e 100644 --- a/src/coreComponents/physicsSolvers/wavePropagation/ElasticWaveEquationSEMKernel.hpp +++ b/src/coreComponents/physicsSolvers/wavePropagation/sem/elastic/secondOrderEqn/isotropic/ElasticWaveEquationSEMKernel.hpp @@ -20,8 +20,8 @@ #define GEOS_PHYSICSSOLVERS_WAVEPROPAGATION_ELASTICWAVEEQUATIONSEMKERNEL_HPP_ #include "finiteElement/kernelInterface/KernelBase.hpp" -#include "WaveSolverUtils.hpp" -#include "ElasticFields.hpp" +#include "physicsSolvers/wavePropagation/shared/WaveSolverUtils.hpp" +#include "physicsSolvers/wavePropagation/sem/elastic/shared/ElasticFields.hpp" namespace geos { diff --git a/src/coreComponents/physicsSolvers/wavePropagation/ElasticFields.hpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/elastic/shared/ElasticFields.hpp similarity index 100% rename from src/coreComponents/physicsSolvers/wavePropagation/ElasticFields.hpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/elastic/shared/ElasticFields.hpp diff --git a/src/coreComponents/physicsSolvers/wavePropagation/ElasticMatricesSEMKernel.hpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/elastic/shared/ElasticMatricesSEMKernel.hpp similarity index 94% rename from src/coreComponents/physicsSolvers/wavePropagation/ElasticMatricesSEMKernel.hpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/elastic/shared/ElasticMatricesSEMKernel.hpp index 8d52ac2dafb..575602a53c8 100644 --- a/src/coreComponents/physicsSolvers/wavePropagation/ElasticMatricesSEMKernel.hpp +++ b/src/coreComponents/physicsSolvers/wavePropagation/sem/elastic/shared/ElasticMatricesSEMKernel.hpp @@ -98,8 +98,13 @@ struct ElasticMatricesSEM * @param[in] facesToNodes map from face to nodes * @param[in] facesDomainBoundaryIndicator flag equal to 1 if the face is on the boundary, and to 0 otherwise * @param[in] freeSurfaceFaceIndicator flag equal to 1 if the face is on the free surface, and to 0 otherwise - * @param[in] velocity cell-wise velocity - * @param[out] damping diagonal of the damping matrix + * @param[in] faceNormal array containing the normal fo the faces + * @param[in] density cell-wise density + * @param[in] velocityVp cell-wise P-wavespeed + * @param[in] velocityVs cell-wise S-wavespeed + * @param[out] dampingx diagonal of the damping matrix (x-direction) + * @param[out] dampingy diagonal of the damping matrix (y-direction) + * @param[out] dampingz diagonal of the damping matrix (z-direction) */ template< typename EXEC_POLICY, typename ATOMIC_POLICY > void diff --git a/src/coreComponents/physicsSolvers/wavePropagation/ElasticTimeSchemeSEMKernel.hpp b/src/coreComponents/physicsSolvers/wavePropagation/sem/elastic/shared/ElasticTimeSchemeSEMKernel.hpp similarity index 100% rename from src/coreComponents/physicsSolvers/wavePropagation/ElasticTimeSchemeSEMKernel.hpp rename to src/coreComponents/physicsSolvers/wavePropagation/sem/elastic/shared/ElasticTimeSchemeSEMKernel.hpp diff --git a/src/coreComponents/physicsSolvers/wavePropagation/PrecomputeSourcesAndReceiversKernel.hpp b/src/coreComponents/physicsSolvers/wavePropagation/shared/PrecomputeSourcesAndReceiversKernel.hpp similarity index 99% rename from src/coreComponents/physicsSolvers/wavePropagation/PrecomputeSourcesAndReceiversKernel.hpp rename to src/coreComponents/physicsSolvers/wavePropagation/shared/PrecomputeSourcesAndReceiversKernel.hpp index aebc8b92761..51e9cbfd04c 100644 --- a/src/coreComponents/physicsSolvers/wavePropagation/PrecomputeSourcesAndReceiversKernel.hpp +++ b/src/coreComponents/physicsSolvers/wavePropagation/shared/PrecomputeSourcesAndReceiversKernel.hpp @@ -201,7 +201,7 @@ struct PreComputeSourcesAndReceivers * @param[out] sourceConstants constant part of the source terms * @param[in] receiverCoordinates coordinates of the receiver terms * @param[out] receiverIsLocal flag indicating whether the receiver is local or not - * @param[out] rcvElem element where a receiver is located + * @param[out] receiverElem element where a receiver is located * @param[out] receiverNodeIds indices of the nodes of the element where the receiver is located * @param[out] receiverConstants constant part of the receiver term * @param[out] sourceValue value of the temporal source (eg. Ricker) @@ -230,7 +230,7 @@ struct PreComputeSourcesAndReceivers arrayView1d< localIndex > const sourceRegion, arrayView2d< real64 const > const receiverCoordinates, arrayView1d< localIndex > const receiverIsLocal, - arrayView1d< localIndex > const rcvElem, + arrayView1d< localIndex > const receiverElem, arrayView2d< localIndex > const receiverNodeIds, arrayView2d< real64 > const receiverConstants, arrayView1d< localIndex > const receiverRegion, @@ -324,7 +324,7 @@ struct PreComputeSourcesAndReceivers nodeCoords, coordsOnRefElem ); receiverIsLocal[ircv] = 1; - rcvElem[ircv] = k; + receiverElem[ircv] = k; receiverRegion[ircv] = regionIndex; real64 Ntest[numNodesPerElem]; @@ -360,25 +360,26 @@ struct PreComputeSourcesAndReceivers * @param[in] faceNormal array containing the normal of all faces * @param[in] faceCenter array containing the center of all faces * @param[in] sourceCoordinates coordinates of the source terms - * @param[in] receiverCoordinates coordinates of the receiver terms - * @param[in] dt time-step - * @param[in] timeSourceFrequency Peak frequency of the source - * @param[in] sourceForce force vector of the source - * @param[in] sourceMoment moment (symmetric rank-2 tensor) of the source - * @param[in] useDAS parameter that determines which kind of receiver needs to be modeled (DAS or not, and which type) - * @param[in] linearDASSamples parameter that gives the number of integration points to be used when computing the DAS signal via strain - * integration - * @param[in] linearDASGeometry geometry of the linear DAS receivers, if needed - * @param[in] rickerOrder Order of the Ricker wavelet * @param[out] sourceIsAccessible flag indicating whether the source is accessible or not * @param[out] sourceNodeIds indices of the nodes of the element where the source is located * @param[out] sourceConstantsx constant part of the source terms in x-direction * @param[out] sourceConstantsy constant part of the source terms in y-direction * @param[out] sourceConstantsz constant part of the source terms in z-direction + * @param[in] receiverCoordinates coordinates of the receiver terms * @param[out] receiverIsLocal flag indicating whether the receiver is local or not * @param[out] receiverNodeIds indices of the nodes of the element where the receiver is located - * @param[out] receiverNodeConstants constant part of the receiver term + * @param[out] receiverConstants constant part of the receiver term * @param[out] sourceValue array containing the value of the time dependent source (Ricker for e.g) + * @param[in] dt time-step + * @param[in] timeSourceFrequency Peak frequency of the source + * @param[in] timeSourceDelay Delay of the source + * @param[in] rickerOrder Order of the Ricker wavelet + * @param[in] useDAS parameter that determines which kind of receiver needs to be modeled (DAS or not, and which type) + * @param[in] linearDASSamples parameter that gives the number of integration points to be used when computing the DAS signal via strain + * integration + * @param[in] linearDASGeometry geometry of the linear DAS receivers, if needed + * @param[in] sourceForce force vector of the source + * @param[in] sourceMoment moment (symmetric rank-2 tensor) of the source */ template< typename EXEC_POLICY, typename FE_TYPE > static void diff --git a/src/coreComponents/physicsSolvers/wavePropagation/WaveSolverBase.cpp b/src/coreComponents/physicsSolvers/wavePropagation/shared/WaveSolverBase.cpp similarity index 99% rename from src/coreComponents/physicsSolvers/wavePropagation/WaveSolverBase.cpp rename to src/coreComponents/physicsSolvers/wavePropagation/shared/WaveSolverBase.cpp index 4081681f62f..3eb561b2704 100644 --- a/src/coreComponents/physicsSolvers/wavePropagation/WaveSolverBase.cpp +++ b/src/coreComponents/physicsSolvers/wavePropagation/shared/WaveSolverBase.cpp @@ -193,7 +193,7 @@ WaveSolverBase::WaveSolverBase( const std::string & name, setSizedFromParent( 0 ). setDescription( "Region containing the receivers" ); - registerWrapper( viewKeyStruct::receiverElemString(), &m_rcvElem ). + registerWrapper( viewKeyStruct::receiverElemString(), &m_receiverElem ). setInputFlag( InputFlags::FALSE ). setSizedFromParent( 0 ). setDescription( "Element containing the receivers" ); @@ -490,7 +490,7 @@ void WaveSolverBase::compute2dVariableAllSeismoTraces( localIndex const regionIn real64 const timeSeismo = m_dtSeismoTrace * (m_forward ? iSeismo : (m_nsamplesSeismoTrace - 1) - iSeismo); if( dir * timeSeismo > dir * (time_n + epsilonLoc)) break; - WaveSolverUtils::compute2dVariableSeismoTrace( time_n, dir * dt, regionIndex, m_receiverRegion, timeSeismo, iSeismo, m_rcvElem, + WaveSolverUtils::compute2dVariableSeismoTrace( time_n, dir * dt, regionIndex, m_receiverRegion, timeSeismo, iSeismo, m_receiverElem, m_receiverConstants, m_receiverIsLocal, var_np1, var_n, varAtReceivers ); } } diff --git a/src/coreComponents/physicsSolvers/wavePropagation/WaveSolverBase.hpp b/src/coreComponents/physicsSolvers/wavePropagation/shared/WaveSolverBase.hpp similarity index 99% rename from src/coreComponents/physicsSolvers/wavePropagation/WaveSolverBase.hpp rename to src/coreComponents/physicsSolvers/wavePropagation/shared/WaveSolverBase.hpp index 93819ec6a60..0271d0382d0 100644 --- a/src/coreComponents/physicsSolvers/wavePropagation/WaveSolverBase.hpp +++ b/src/coreComponents/physicsSolvers/wavePropagation/shared/WaveSolverBase.hpp @@ -118,7 +118,7 @@ class WaveSolverBase : public SolverBase static constexpr char const * usePMLString() { return "usePML"; } static constexpr char const * parametersPMLString() { return "parametersPML"; } - static constexpr char const * receiverElemString() { return "rcvElem"; } + static constexpr char const * receiverElemString() { return "receiverElem"; } static constexpr char const * receiverRegionString() { return "receiverRegion"; } static constexpr char const * freeSurfaceString() { return "FreeSurface"; } }; @@ -319,7 +319,7 @@ class WaveSolverBase : public SolverBase array1d< localIndex > m_receiverIsLocal; /// Array containing the elements which contain a receiver - array1d< localIndex > m_rcvElem; + array1d< localIndex > m_receiverElem; /// Array containing the elements which contain the region which the receiver belongs array1d< localIndex > m_receiverRegion; diff --git a/src/coreComponents/physicsSolvers/wavePropagation/WaveSolverUtils.hpp b/src/coreComponents/physicsSolvers/wavePropagation/shared/WaveSolverUtils.hpp similarity index 79% rename from src/coreComponents/physicsSolvers/wavePropagation/WaveSolverUtils.hpp rename to src/coreComponents/physicsSolvers/wavePropagation/shared/WaveSolverUtils.hpp index 5b9e91dbcb8..84875cf7bc7 100644 --- a/src/coreComponents/physicsSolvers/wavePropagation/WaveSolverUtils.hpp +++ b/src/coreComponents/physicsSolvers/wavePropagation/shared/WaveSolverUtils.hpp @@ -82,6 +82,11 @@ struct WaveSolverUtils /** * @brief Initialize (clear) the trace file. + * @param[in] prefix Prefix of the output file + * @param[in] name Name of the solver on which you write the seismo trace + * @param[in] outputSeismoTrace Boolean equals to 1 if you want to output the seismotrace on a txt file 0 either + * @param[in] nReceivers Number of receivers + * @param[in] receiverIsLocal Array to check if the receiver is local to the MPI partition */ static void initTrace( char const * prefix, string const & name, @@ -110,6 +115,15 @@ struct WaveSolverUtils /** * @brief Convenient helper for 3D vectors calling 3 times the scalar version with only the sampled variable argument changed. + * @param[in] prefix Prefix of the output file + * @param[in] name Name of the solver on which you write the seismo trace + * @param[in] outputSeismoTrace Boolean equals to 1 if you want to output the seismotrace on a txt file 0 either + * @param[in] nReceivers Number of receivers + * @param[in] receiverIsLocal Array to check if the receiver is local to the MPI partition + * @param[in] nsamplesSeismoTrace Number of samples per seismo trace + * @param[out] varAtReceiversx Array containing the variable (x-direction) computed at the receivers + * @param[out] varAtReceiversy Array containing the variable (y-direction) computed at the receivers + * @param[out] varAtReceiversz Array containing the variable (z-direction) computed at the receivers */ static void writeSeismoTraceVector( char const * prefix, string const & name, @@ -128,6 +142,13 @@ struct WaveSolverUtils /** * @brief Write the seismo traces to a file. + * @param[in] prefix Prefix of the output file + * @param[in] name Name of the solver on which you write the seismo trace + * @param[in] outputSeismoTrace Boolean equals to 1 if you want to output the seismotrace on a txt file 0 either + * @param[in] nReceivers Number of receivers + * @param[in] receiverIsLocal Array to check if the receiver is local to the MPI partition + * @param[in] nsamplesSeismoTrace Number of samples per seismo trace + * @param[in] varAtReceivers Array containing the the variable computed at the receivers */ static void writeSeismoTrace( char const * prefix, string const & name, @@ -166,6 +187,18 @@ struct WaveSolverUtils /** * @brief Compute the seismo traces. + * @param[in] time_n Current time iteration + * @param[in] dt time-step + * @param[in] timeSeismo time when the seismo is computed + * @param[in] iSeismo i-th seismo trace + * @param[in] receiverNodeIds indices of the nodes of the element where the receiver is located + * @param[in] receiverConstants constant part of the receiver term + * @param[in] receiverIsLocal flag indicating whether the receiver is local or not + * @param[in] var_np1 Array containing the variable at time n+1 + * @param[in] var_n Array containing the variable at time n + * @param[out] varAtReceivers Array containing the the variable computed at the receivers + * @param[in] coeffs Coefficients array for receivers + * @param[in] add Boolean to say if you want to add the value of interpolation to the same receiver coefficient or not */ static void computeSeismoTrace( real64 const time_n, real64 const dt, @@ -200,14 +233,14 @@ struct WaveSolverUtils } } // linear interpolation between the pressure value at time_n and time_{n+1} - real32 rcvCoeff = coeffs.size( 0 ) == 0 ? 1.0 : coeffs( ircv ); + real32 receiverCoeff = coeffs.size( 0 ) == 0 ? 1.0 : coeffs( ircv ); if( add ) { - varAtReceivers( iSeismo, ircv ) += rcvCoeff * ( a1 * vtmp_n + a2 * vtmp_np1 ); + varAtReceivers( iSeismo, ircv ) += receiverCoeff * ( a1 * vtmp_n + a2 * vtmp_np1 ); } else { - varAtReceivers( iSeismo, ircv ) = rcvCoeff * ( a1 * vtmp_n + a2 * vtmp_np1 ); + varAtReceivers( iSeismo, ircv ) = receiverCoeff * ( a1 * vtmp_n + a2 * vtmp_np1 ); } // NOTE: varAtReceivers has size(1) = numReceiversGlobal + 1, this does not OOB // left in the forAll loop for sync issues since the following does not depend on `ircv` @@ -216,13 +249,28 @@ struct WaveSolverUtils } ); } + /** + * @brief Compute the seismo traces for 2d arrays + * @param[in] time_n Current time iteration + * @param[in] dt time-step + * @param[in] regionIndex Index of the current region + * @param[in] receiverRegion Array containing the region in which the receiver is located + * @param[in] timeSeismo time when the seismo is computed + * @param[in] iSeismo i-th seismo trace + * @param[in] receiverElem Array containing the element on which the receiver is located + * @param[in] receiverConstants constant part of the receiver term + * @param[in] receiverIsLocal flag indicating whether the receiver is local or not + * @param[in] var_np1 Array containing the variable at time n+1 + * @param[in] var_n Array containing the variable at time n + * @param[out] varAtReceivers Array containing the the variable computed at the receivers + */ static void compute2dVariableSeismoTrace( real64 const time_n, real64 const dt, localIndex const regionIndex, arrayView1d< localIndex const > const receiverRegion, real64 const timeSeismo, localIndex const iSeismo, - arrayView1d< localIndex const > const rcvElem, + arrayView1d< localIndex const > const receiverElem, arrayView2d< real64 const > const receiverConstants, arrayView1d< localIndex const > const receiverIsLocal, arrayView2d< real32 const > const var_np1, @@ -245,8 +293,8 @@ struct WaveSolverUtils real32 vtmp_np1 = 0.0, vtmp_n = 0.0; for( localIndex inode = 0; inode < receiverConstants.size( 1 ); ++inode ) { - vtmp_np1 += var_np1( rcvElem[ircv], inode ) * receiverConstants( ircv, inode ); - vtmp_n += var_n( rcvElem[ircv], inode ) * receiverConstants( ircv, inode ); + vtmp_np1 += var_np1( receiverElem[ircv], inode ) * receiverConstants( ircv, inode ); + vtmp_n += var_n( receiverElem[ircv], inode ) * receiverConstants( ircv, inode ); } // linear interpolation between the pressure value at time_n and time_{n+1} varAtReceivers( iSeismo, ircv ) = a1 * vtmp_n + a2 * vtmp_np1; diff --git a/src/coreComponents/schema/docs/AcousticFirstOrderSEM_other.rst b/src/coreComponents/schema/docs/AcousticFirstOrderSEM_other.rst index 44522b87d49..88ca2990ec7 100644 --- a/src/coreComponents/schema/docs/AcousticFirstOrderSEM_other.rst +++ b/src/coreComponents/schema/docs/AcousticFirstOrderSEM_other.rst @@ -10,8 +10,8 @@ linearDASVectorZ real32_array maxStableDt real64 Value of the Maximum Stable Timestep for this solver. meshTargets geos_mapBase, LvArray_Array, int, LvArray_ChaiBuffer>, std_integral_constant > MeshBody/Region combinations that the solver will be applied to. pressureNp1AtReceivers real32_array2d Pressure value at each receiver for each timestep -rcvElem integer_array Element containing the receivers receiverConstants real64_array2d Constant part of the receiver for the nodes listed in m_receiverNodeIds +receiverElem integer_array Element containing the receivers receiverIsLocal integer_array Flag that indicates whether the receiver is local to this MPI rank receiverNodeIds integer_array2d Indices of the nodes (in the right order) for each receiver point receiverRegion integer_array Region containing the receivers diff --git a/src/coreComponents/schema/docs/AcousticSEM_other.rst b/src/coreComponents/schema/docs/AcousticSEM_other.rst index 80dd4136b81..1ef831de5ac 100644 --- a/src/coreComponents/schema/docs/AcousticSEM_other.rst +++ b/src/coreComponents/schema/docs/AcousticSEM_other.rst @@ -10,8 +10,8 @@ linearDASVectorZ real32_array maxStableDt real64 Value of the Maximum Stable Timestep for this solver. meshTargets geos_mapBase, LvArray_Array, int, LvArray_ChaiBuffer>, std_integral_constant > MeshBody/Region combinations that the solver will be applied to. pressureNp1AtReceivers real32_array2d Pressure value at each receiver for each timestep -rcvElem integer_array Element containing the receivers receiverConstants real64_array2d Constant part of the receiver for the nodes listed in m_receiverNodeIds +receiverElem integer_array Element containing the receivers receiverIsLocal integer_array Flag that indicates whether the receiver is local to this MPI rank receiverNodeIds integer_array2d Indices of the nodes (in the right order) for each receiver point receiverRegion integer_array Region containing the receivers diff --git a/src/coreComponents/schema/docs/AcousticVTISEM_other.rst b/src/coreComponents/schema/docs/AcousticVTISEM_other.rst index 80dd4136b81..1ef831de5ac 100644 --- a/src/coreComponents/schema/docs/AcousticVTISEM_other.rst +++ b/src/coreComponents/schema/docs/AcousticVTISEM_other.rst @@ -10,8 +10,8 @@ linearDASVectorZ real32_array maxStableDt real64 Value of the Maximum Stable Timestep for this solver. meshTargets geos_mapBase, LvArray_Array, int, LvArray_ChaiBuffer>, std_integral_constant > MeshBody/Region combinations that the solver will be applied to. pressureNp1AtReceivers real32_array2d Pressure value at each receiver for each timestep -rcvElem integer_array Element containing the receivers receiverConstants real64_array2d Constant part of the receiver for the nodes listed in m_receiverNodeIds +receiverElem integer_array Element containing the receivers receiverIsLocal integer_array Flag that indicates whether the receiver is local to this MPI rank receiverNodeIds integer_array2d Indices of the nodes (in the right order) for each receiver point receiverRegion integer_array Region containing the receivers diff --git a/src/coreComponents/schema/docs/CompositionalMultiphaseFluid.rst b/src/coreComponents/schema/docs/CompositionalMultiphaseFluid.rst index c9db4e7d190..dab7f7ffa9f 100644 --- a/src/coreComponents/schema/docs/CompositionalMultiphaseFluid.rst +++ b/src/coreComponents/schema/docs/CompositionalMultiphaseFluid.rst @@ -11,6 +11,7 @@ componentCriticalTemperature real64_array required Component critical temp componentMolarWeight real64_array required Component molar weights componentNames string_array required List of component names componentVolumeShift real64_array {0} Component volume shifts +constantPhaseViscosity real64_array {0} Viscosity for each phase equationsOfState string_array required List of equation of state types for each phase name groupName required A name is required for any non-unique nodes phaseNames groupNameRef_array required List of fluid phases diff --git a/src/coreComponents/schema/docs/CompositonalTwoPhaseFluidPengRobinson.rst b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinson.rst similarity index 100% rename from src/coreComponents/schema/docs/CompositonalTwoPhaseFluidPengRobinson.rst rename to src/coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinson.rst diff --git a/src/coreComponents/schema/docs/CompositonalTwoPhaseFluidSoaveRedlichKwong.rst b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinsonLBC.rst similarity index 100% rename from src/coreComponents/schema/docs/CompositonalTwoPhaseFluidSoaveRedlichKwong.rst rename to src/coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinsonLBC.rst diff --git a/src/coreComponents/schema/docs/CompositonalTwoPhaseFluidPengRobinson_other.rst b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinsonLBC_other.rst similarity index 96% rename from src/coreComponents/schema/docs/CompositonalTwoPhaseFluidPengRobinson_other.rst rename to src/coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinsonLBC_other.rst index 28636011f61..c8f51e2b3c9 100644 --- a/src/coreComponents/schema/docs/CompositonalTwoPhaseFluidPengRobinson_other.rst +++ b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinsonLBC_other.rst @@ -11,6 +11,7 @@ dPhaseInternalEnergy real64_array4d dPhaseMassDensity real64_array4d Derivative of phase mass density with respect to pressure, temperature, and global component fractions dPhaseViscosity real64_array4d Derivative of phase viscosity with respect to pressure, temperature, and global component fractions dTotalDensity real64_array3d Derivative of total density with respect to pressure, temperature, and global component fractions +kValues real64_array4d Phase equilibrium ratios phaseCompFraction real64_array4d Phase component fraction phaseCompFraction_n real64_array4d Phase component fraction at the previous converged time step phaseDensity real64_array3d Phase density diff --git a/src/coreComponents/schema/docs/CompositonalTwoPhaseFluidSoaveRedlichKwong_other.rst b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinson_other.rst similarity index 96% rename from src/coreComponents/schema/docs/CompositonalTwoPhaseFluidSoaveRedlichKwong_other.rst rename to src/coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinson_other.rst index 28636011f61..c8f51e2b3c9 100644 --- a/src/coreComponents/schema/docs/CompositonalTwoPhaseFluidSoaveRedlichKwong_other.rst +++ b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinson_other.rst @@ -11,6 +11,7 @@ dPhaseInternalEnergy real64_array4d dPhaseMassDensity real64_array4d Derivative of phase mass density with respect to pressure, temperature, and global component fractions dPhaseViscosity real64_array4d Derivative of phase viscosity with respect to pressure, temperature, and global component fractions dTotalDensity real64_array3d Derivative of total density with respect to pressure, temperature, and global component fractions +kValues real64_array4d Phase equilibrium ratios phaseCompFraction real64_array4d Phase component fraction phaseCompFraction_n real64_array4d Phase component fraction at the previous converged time step phaseDensity real64_array3d Phase density diff --git a/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwong.rst b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwong.rst new file mode 100644 index 00000000000..cf67a8118c4 --- /dev/null +++ b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwong.rst @@ -0,0 +1,19 @@ + + +============================ ================== ======== ============================================================================================================ +Name Type Default Description +============================ ================== ======== ============================================================================================================ +checkPVTTablesRanges integer 1 Enable (1) or disable (0) an error when the input pressure or temperature of the PVT tables is out of range. +componentAcentricFactor real64_array required Component acentric factors +componentBinaryCoeff real64_array2d {{0}} Table of binary interaction coefficients +componentCriticalPressure real64_array required Component critical pressures +componentCriticalTemperature real64_array required Component critical temperatures +componentCriticalVolume real64_array {0} Component critical volumnes +componentMolarWeight real64_array required Component molar weights +componentNames string_array required List of component names +componentVolumeShift real64_array {0} Component volume shifts +name groupName required A name is required for any non-unique nodes +phaseNames groupNameRef_array required List of fluid phases +============================ ================== ======== ============================================================================================================ + + diff --git a/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwongLBC.rst b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwongLBC.rst new file mode 100644 index 00000000000..cf67a8118c4 --- /dev/null +++ b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwongLBC.rst @@ -0,0 +1,19 @@ + + +============================ ================== ======== ============================================================================================================ +Name Type Default Description +============================ ================== ======== ============================================================================================================ +checkPVTTablesRanges integer 1 Enable (1) or disable (0) an error when the input pressure or temperature of the PVT tables is out of range. +componentAcentricFactor real64_array required Component acentric factors +componentBinaryCoeff real64_array2d {{0}} Table of binary interaction coefficients +componentCriticalPressure real64_array required Component critical pressures +componentCriticalTemperature real64_array required Component critical temperatures +componentCriticalVolume real64_array {0} Component critical volumnes +componentMolarWeight real64_array required Component molar weights +componentNames string_array required List of component names +componentVolumeShift real64_array {0} Component volume shifts +name groupName required A name is required for any non-unique nodes +phaseNames groupNameRef_array required List of fluid phases +============================ ================== ======== ============================================================================================================ + + diff --git a/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwongLBC_other.rst b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwongLBC_other.rst new file mode 100644 index 00000000000..c8f51e2b3c9 --- /dev/null +++ b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwongLBC_other.rst @@ -0,0 +1,31 @@ + + +===================== ========================================================================================= ============================================================================================================ +Name Type Description +===================== ========================================================================================= ============================================================================================================ +dPhaseCompFraction LvArray_Array, int, LvArray_ChaiBuffer> Derivative of phase component fraction with respect to pressure, temperature, and global component fractions +dPhaseDensity real64_array4d Derivative of phase density with respect to pressure, temperature, and global component fractions +dPhaseEnthalpy real64_array4d Derivative of phase enthalpy with respect to pressure, temperature, and global component fractions +dPhaseFraction real64_array4d Derivative of phase fraction with respect to pressure, temperature, and global component fractions +dPhaseInternalEnergy real64_array4d Derivative of phase internal energy with respect to pressure, temperature, and global component fractions +dPhaseMassDensity real64_array4d Derivative of phase mass density with respect to pressure, temperature, and global component fractions +dPhaseViscosity real64_array4d Derivative of phase viscosity with respect to pressure, temperature, and global component fractions +dTotalDensity real64_array3d Derivative of total density with respect to pressure, temperature, and global component fractions +kValues real64_array4d Phase equilibrium ratios +phaseCompFraction real64_array4d Phase component fraction +phaseCompFraction_n real64_array4d Phase component fraction at the previous converged time step +phaseDensity real64_array3d Phase density +phaseDensity_n real64_array3d Phase density at the previous converged time step +phaseEnthalpy real64_array3d Phase enthalpy +phaseEnthalpy_n real64_array3d Phase enthalpy at the previous converged time step +phaseFraction real64_array3d Phase fraction +phaseInternalEnergy real64_array3d Phase internal energy +phaseInternalEnergy_n real64_array3d Phase internal energy at the previous converged time step +phaseMassDensity real64_array3d Phase mass density +phaseViscosity real64_array3d Phase viscosity +totalDensity real64_array2d Total density +totalDensity_n real64_array2d Total density at the previous converged time step +useMass integer (no description available) +===================== ========================================================================================= ============================================================================================================ + + diff --git a/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwong_other.rst b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwong_other.rst new file mode 100644 index 00000000000..c8f51e2b3c9 --- /dev/null +++ b/src/coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwong_other.rst @@ -0,0 +1,31 @@ + + +===================== ========================================================================================= ============================================================================================================ +Name Type Description +===================== ========================================================================================= ============================================================================================================ +dPhaseCompFraction LvArray_Array, int, LvArray_ChaiBuffer> Derivative of phase component fraction with respect to pressure, temperature, and global component fractions +dPhaseDensity real64_array4d Derivative of phase density with respect to pressure, temperature, and global component fractions +dPhaseEnthalpy real64_array4d Derivative of phase enthalpy with respect to pressure, temperature, and global component fractions +dPhaseFraction real64_array4d Derivative of phase fraction with respect to pressure, temperature, and global component fractions +dPhaseInternalEnergy real64_array4d Derivative of phase internal energy with respect to pressure, temperature, and global component fractions +dPhaseMassDensity real64_array4d Derivative of phase mass density with respect to pressure, temperature, and global component fractions +dPhaseViscosity real64_array4d Derivative of phase viscosity with respect to pressure, temperature, and global component fractions +dTotalDensity real64_array3d Derivative of total density with respect to pressure, temperature, and global component fractions +kValues real64_array4d Phase equilibrium ratios +phaseCompFraction real64_array4d Phase component fraction +phaseCompFraction_n real64_array4d Phase component fraction at the previous converged time step +phaseDensity real64_array3d Phase density +phaseDensity_n real64_array3d Phase density at the previous converged time step +phaseEnthalpy real64_array3d Phase enthalpy +phaseEnthalpy_n real64_array3d Phase enthalpy at the previous converged time step +phaseFraction real64_array3d Phase fraction +phaseInternalEnergy real64_array3d Phase internal energy +phaseInternalEnergy_n real64_array3d Phase internal energy at the previous converged time step +phaseMassDensity real64_array3d Phase mass density +phaseViscosity real64_array3d Phase viscosity +totalDensity real64_array2d Total density +totalDensity_n real64_array2d Total density at the previous converged time step +useMass integer (no description available) +===================== ========================================================================================= ============================================================================================================ + + diff --git a/src/coreComponents/schema/docs/Constitutive.rst b/src/coreComponents/schema/docs/Constitutive.rst index f0a48fcf31f..da607951e37 100644 --- a/src/coreComponents/schema/docs/Constitutive.rst +++ b/src/coreComponents/schema/docs/Constitutive.rst @@ -1,90 +1,91 @@ -============================================= ==== ======= ======================================================== -Name Type Default Description -============================================= ==== ======= ======================================================== -BiotPorosity node :ref:`XML_BiotPorosity` -BlackOilFluid node :ref:`XML_BlackOilFluid` -BrooksCoreyBakerRelativePermeability node :ref:`XML_BrooksCoreyBakerRelativePermeability` -BrooksCoreyCapillaryPressure node :ref:`XML_BrooksCoreyCapillaryPressure` -BrooksCoreyRelativePermeability node :ref:`XML_BrooksCoreyRelativePermeability` -BrooksCoreyStone2RelativePermeability node :ref:`XML_BrooksCoreyStone2RelativePermeability` -CO2BrineEzrokhiFluid node :ref:`XML_CO2BrineEzrokhiFluid` -CO2BrineEzrokhiThermalFluid node :ref:`XML_CO2BrineEzrokhiThermalFluid` -CO2BrinePhillipsFluid node :ref:`XML_CO2BrinePhillipsFluid` -CO2BrinePhillipsThermalFluid node :ref:`XML_CO2BrinePhillipsThermalFluid` -CarmanKozenyPermeability node :ref:`XML_CarmanKozenyPermeability` -CeramicDamage node :ref:`XML_CeramicDamage` -CompositionalMultiphaseFluid node :ref:`XML_CompositionalMultiphaseFluid` -CompositonalTwoPhaseFluidPengRobinson node :ref:`XML_CompositonalTwoPhaseFluidPengRobinson` -CompositonalTwoPhaseFluidSoaveRedlichKwong node :ref:`XML_CompositonalTwoPhaseFluidSoaveRedlichKwong` -CompressibleSinglePhaseFluid node :ref:`XML_CompressibleSinglePhaseFluid` -CompressibleSolidCarmanKozenyPermeability node :ref:`XML_CompressibleSolidCarmanKozenyPermeability` -CompressibleSolidConstantPermeability node :ref:`XML_CompressibleSolidConstantPermeability` -CompressibleSolidExponentialDecayPermeability node :ref:`XML_CompressibleSolidExponentialDecayPermeability` -CompressibleSolidParallelPlatesPermeability node :ref:`XML_CompressibleSolidParallelPlatesPermeability` -CompressibleSolidSlipDependentPermeability node :ref:`XML_CompressibleSolidSlipDependentPermeability` -CompressibleSolidWillisRichardsPermeability node :ref:`XML_CompressibleSolidWillisRichardsPermeability` -ConstantDiffusion node :ref:`XML_ConstantDiffusion` -ConstantPermeability node :ref:`XML_ConstantPermeability` -Coulomb node :ref:`XML_Coulomb` -DamageElasticIsotropic node :ref:`XML_DamageElasticIsotropic` -DamageSpectralElasticIsotropic node :ref:`XML_DamageSpectralElasticIsotropic` -DamageVolDevElasticIsotropic node :ref:`XML_DamageVolDevElasticIsotropic` -DeadOilFluid node :ref:`XML_DeadOilFluid` -DelftEgg node :ref:`XML_DelftEgg` -DruckerPrager node :ref:`XML_DruckerPrager` -ElasticIsotropic node :ref:`XML_ElasticIsotropic` -ElasticIsotropicPressureDependent node :ref:`XML_ElasticIsotropicPressureDependent` -ElasticOrthotropic node :ref:`XML_ElasticOrthotropic` -ElasticTransverseIsotropic node :ref:`XML_ElasticTransverseIsotropic` -ExponentialDecayPermeability node :ref:`XML_ExponentialDecayPermeability` -ExtendedDruckerPrager node :ref:`XML_ExtendedDruckerPrager` -FrictionlessContact node :ref:`XML_FrictionlessContact` -JFunctionCapillaryPressure node :ref:`XML_JFunctionCapillaryPressure` -LinearIsotropicDispersion node :ref:`XML_LinearIsotropicDispersion` -ModifiedCamClay node :ref:`XML_ModifiedCamClay` -MultiPhaseConstantThermalConductivity node :ref:`XML_MultiPhaseConstantThermalConductivity` -MultiPhaseVolumeWeightedThermalConductivity node :ref:`XML_MultiPhaseVolumeWeightedThermalConductivity` -NullModel node :ref:`XML_NullModel` -ParallelPlatesPermeability node :ref:`XML_ParallelPlatesPermeability` -ParticleFluid node :ref:`XML_ParticleFluid` -PerfectlyPlastic node :ref:`XML_PerfectlyPlastic` -PermeabilityBase node :ref:`XML_PermeabilityBase` -PorousDamageElasticIsotropic node :ref:`XML_PorousDamageElasticIsotropic` -PorousDamageSpectralElasticIsotropic node :ref:`XML_PorousDamageSpectralElasticIsotropic` -PorousDamageVolDevElasticIsotropic node :ref:`XML_PorousDamageVolDevElasticIsotropic` -PorousDelftEgg node :ref:`XML_PorousDelftEgg` -PorousDruckerPrager node :ref:`XML_PorousDruckerPrager` -PorousElasticIsotropic node :ref:`XML_PorousElasticIsotropic` -PorousElasticOrthotropic node :ref:`XML_PorousElasticOrthotropic` -PorousElasticTransverseIsotropic node :ref:`XML_PorousElasticTransverseIsotropic` -PorousExtendedDruckerPrager node :ref:`XML_PorousExtendedDruckerPrager` -PorousModifiedCamClay node :ref:`XML_PorousModifiedCamClay` -PorousViscoDruckerPrager node :ref:`XML_PorousViscoDruckerPrager` -PorousViscoExtendedDruckerPrager node :ref:`XML_PorousViscoExtendedDruckerPrager` -PorousViscoModifiedCamClay node :ref:`XML_PorousViscoModifiedCamClay` -PressurePorosity node :ref:`XML_PressurePorosity` -ProppantPermeability node :ref:`XML_ProppantPermeability` -ProppantPorosity node :ref:`XML_ProppantPorosity` -ProppantSlurryFluid node :ref:`XML_ProppantSlurryFluid` -ProppantSolidProppantPermeability node :ref:`XML_ProppantSolidProppantPermeability` -ReactiveBrine node :ref:`XML_ReactiveBrine` -ReactiveBrineThermal node :ref:`XML_ReactiveBrineThermal` -SinglePhaseConstantThermalConductivity node :ref:`XML_SinglePhaseConstantThermalConductivity` -SlipDependentPermeability node :ref:`XML_SlipDependentPermeability` -SolidInternalEnergy node :ref:`XML_SolidInternalEnergy` -TableCapillaryPressure node :ref:`XML_TableCapillaryPressure` -TableRelativePermeability node :ref:`XML_TableRelativePermeability` -TableRelativePermeabilityHysteresis node :ref:`XML_TableRelativePermeabilityHysteresis` -ThermalCompressibleSinglePhaseFluid node :ref:`XML_ThermalCompressibleSinglePhaseFluid` -VanGenuchtenBakerRelativePermeability node :ref:`XML_VanGenuchtenBakerRelativePermeability` -VanGenuchtenCapillaryPressure node :ref:`XML_VanGenuchtenCapillaryPressure` -VanGenuchtenStone2RelativePermeability node :ref:`XML_VanGenuchtenStone2RelativePermeability` -ViscoDruckerPrager node :ref:`XML_ViscoDruckerPrager` -ViscoExtendedDruckerPrager node :ref:`XML_ViscoExtendedDruckerPrager` -ViscoModifiedCamClay node :ref:`XML_ViscoModifiedCamClay` -WillisRichardsPermeability node :ref:`XML_WillisRichardsPermeability` -============================================= ==== ======= ======================================================== +============================================== ==== ======= ========================================================= +Name Type Default Description +============================================== ==== ======= ========================================================= +BiotPorosity node :ref:`XML_BiotPorosity` +BlackOilFluid node :ref:`XML_BlackOilFluid` +BrooksCoreyBakerRelativePermeability node :ref:`XML_BrooksCoreyBakerRelativePermeability` +BrooksCoreyCapillaryPressure node :ref:`XML_BrooksCoreyCapillaryPressure` +BrooksCoreyRelativePermeability node :ref:`XML_BrooksCoreyRelativePermeability` +BrooksCoreyStone2RelativePermeability node :ref:`XML_BrooksCoreyStone2RelativePermeability` +CO2BrineEzrokhiFluid node :ref:`XML_CO2BrineEzrokhiFluid` +CO2BrineEzrokhiThermalFluid node :ref:`XML_CO2BrineEzrokhiThermalFluid` +CO2BrinePhillipsFluid node :ref:`XML_CO2BrinePhillipsFluid` +CO2BrinePhillipsThermalFluid node :ref:`XML_CO2BrinePhillipsThermalFluid` +CarmanKozenyPermeability node :ref:`XML_CarmanKozenyPermeability` +CeramicDamage node :ref:`XML_CeramicDamage` +CompositionalMultiphaseFluid node :ref:`XML_CompositionalMultiphaseFluid` +CompositionalTwoPhaseFluidPengRobinson node :ref:`XML_CompositionalTwoPhaseFluidPengRobinson` +CompositionalTwoPhaseFluidPengRobinsonLBC node :ref:`XML_CompositionalTwoPhaseFluidPengRobinsonLBC` +CompositionalTwoPhaseFluidSoaveRedlichKwong node :ref:`XML_CompositionalTwoPhaseFluidSoaveRedlichKwong` +CompositionalTwoPhaseFluidSoaveRedlichKwongLBC node :ref:`XML_CompositionalTwoPhaseFluidSoaveRedlichKwongLBC` +CompressibleSinglePhaseFluid node :ref:`XML_CompressibleSinglePhaseFluid` +CompressibleSolidCarmanKozenyPermeability node :ref:`XML_CompressibleSolidCarmanKozenyPermeability` +CompressibleSolidConstantPermeability node :ref:`XML_CompressibleSolidConstantPermeability` +CompressibleSolidExponentialDecayPermeability node :ref:`XML_CompressibleSolidExponentialDecayPermeability` +CompressibleSolidParallelPlatesPermeability node :ref:`XML_CompressibleSolidParallelPlatesPermeability` +CompressibleSolidSlipDependentPermeability node :ref:`XML_CompressibleSolidSlipDependentPermeability` +CompressibleSolidWillisRichardsPermeability node :ref:`XML_CompressibleSolidWillisRichardsPermeability` +ConstantDiffusion node :ref:`XML_ConstantDiffusion` +ConstantPermeability node :ref:`XML_ConstantPermeability` +Coulomb node :ref:`XML_Coulomb` +DamageElasticIsotropic node :ref:`XML_DamageElasticIsotropic` +DamageSpectralElasticIsotropic node :ref:`XML_DamageSpectralElasticIsotropic` +DamageVolDevElasticIsotropic node :ref:`XML_DamageVolDevElasticIsotropic` +DeadOilFluid node :ref:`XML_DeadOilFluid` +DelftEgg node :ref:`XML_DelftEgg` +DruckerPrager node :ref:`XML_DruckerPrager` +ElasticIsotropic node :ref:`XML_ElasticIsotropic` +ElasticIsotropicPressureDependent node :ref:`XML_ElasticIsotropicPressureDependent` +ElasticOrthotropic node :ref:`XML_ElasticOrthotropic` +ElasticTransverseIsotropic node :ref:`XML_ElasticTransverseIsotropic` +ExponentialDecayPermeability node :ref:`XML_ExponentialDecayPermeability` +ExtendedDruckerPrager node :ref:`XML_ExtendedDruckerPrager` +FrictionlessContact node :ref:`XML_FrictionlessContact` +JFunctionCapillaryPressure node :ref:`XML_JFunctionCapillaryPressure` +LinearIsotropicDispersion node :ref:`XML_LinearIsotropicDispersion` +ModifiedCamClay node :ref:`XML_ModifiedCamClay` +MultiPhaseConstantThermalConductivity node :ref:`XML_MultiPhaseConstantThermalConductivity` +MultiPhaseVolumeWeightedThermalConductivity node :ref:`XML_MultiPhaseVolumeWeightedThermalConductivity` +NullModel node :ref:`XML_NullModel` +ParallelPlatesPermeability node :ref:`XML_ParallelPlatesPermeability` +ParticleFluid node :ref:`XML_ParticleFluid` +PerfectlyPlastic node :ref:`XML_PerfectlyPlastic` +PorousDamageElasticIsotropic node :ref:`XML_PorousDamageElasticIsotropic` +PorousDamageSpectralElasticIsotropic node :ref:`XML_PorousDamageSpectralElasticIsotropic` +PorousDamageVolDevElasticIsotropic node :ref:`XML_PorousDamageVolDevElasticIsotropic` +PorousDelftEgg node :ref:`XML_PorousDelftEgg` +PorousDruckerPrager node :ref:`XML_PorousDruckerPrager` +PorousElasticIsotropic node :ref:`XML_PorousElasticIsotropic` +PorousElasticOrthotropic node :ref:`XML_PorousElasticOrthotropic` +PorousElasticTransverseIsotropic node :ref:`XML_PorousElasticTransverseIsotropic` +PorousExtendedDruckerPrager node :ref:`XML_PorousExtendedDruckerPrager` +PorousModifiedCamClay node :ref:`XML_PorousModifiedCamClay` +PorousViscoDruckerPrager node :ref:`XML_PorousViscoDruckerPrager` +PorousViscoExtendedDruckerPrager node :ref:`XML_PorousViscoExtendedDruckerPrager` +PorousViscoModifiedCamClay node :ref:`XML_PorousViscoModifiedCamClay` +PressurePorosity node :ref:`XML_PressurePorosity` +ProppantPermeability node :ref:`XML_ProppantPermeability` +ProppantPorosity node :ref:`XML_ProppantPorosity` +ProppantSlurryFluid node :ref:`XML_ProppantSlurryFluid` +ProppantSolidProppantPermeability node :ref:`XML_ProppantSolidProppantPermeability` +ReactiveBrine node :ref:`XML_ReactiveBrine` +ReactiveBrineThermal node :ref:`XML_ReactiveBrineThermal` +SinglePhaseConstantThermalConductivity node :ref:`XML_SinglePhaseConstantThermalConductivity` +SlipDependentPermeability node :ref:`XML_SlipDependentPermeability` +SolidInternalEnergy node :ref:`XML_SolidInternalEnergy` +TableCapillaryPressure node :ref:`XML_TableCapillaryPressure` +TableRelativePermeability node :ref:`XML_TableRelativePermeability` +TableRelativePermeabilityHysteresis node :ref:`XML_TableRelativePermeabilityHysteresis` +ThermalCompressibleSinglePhaseFluid node :ref:`XML_ThermalCompressibleSinglePhaseFluid` +VanGenuchtenBakerRelativePermeability node :ref:`XML_VanGenuchtenBakerRelativePermeability` +VanGenuchtenCapillaryPressure node :ref:`XML_VanGenuchtenCapillaryPressure` +VanGenuchtenStone2RelativePermeability node :ref:`XML_VanGenuchtenStone2RelativePermeability` +ViscoDruckerPrager node :ref:`XML_ViscoDruckerPrager` +ViscoExtendedDruckerPrager node :ref:`XML_ViscoExtendedDruckerPrager` +ViscoModifiedCamClay node :ref:`XML_ViscoModifiedCamClay` +WillisRichardsPermeability node :ref:`XML_WillisRichardsPermeability` +============================================== ==== ======= ========================================================= diff --git a/src/coreComponents/schema/docs/Constitutive_other.rst b/src/coreComponents/schema/docs/Constitutive_other.rst index 9ce0f20a901..1dda7e77976 100644 --- a/src/coreComponents/schema/docs/Constitutive_other.rst +++ b/src/coreComponents/schema/docs/Constitutive_other.rst @@ -1,90 +1,91 @@ -============================================= ==== ================================================================== -Name Type Description -============================================= ==== ================================================================== -BiotPorosity node :ref:`DATASTRUCTURE_BiotPorosity` -BlackOilFluid node :ref:`DATASTRUCTURE_BlackOilFluid` -BrooksCoreyBakerRelativePermeability node :ref:`DATASTRUCTURE_BrooksCoreyBakerRelativePermeability` -BrooksCoreyCapillaryPressure node :ref:`DATASTRUCTURE_BrooksCoreyCapillaryPressure` -BrooksCoreyRelativePermeability node :ref:`DATASTRUCTURE_BrooksCoreyRelativePermeability` -BrooksCoreyStone2RelativePermeability node :ref:`DATASTRUCTURE_BrooksCoreyStone2RelativePermeability` -CO2BrineEzrokhiFluid node :ref:`DATASTRUCTURE_CO2BrineEzrokhiFluid` -CO2BrineEzrokhiThermalFluid node :ref:`DATASTRUCTURE_CO2BrineEzrokhiThermalFluid` -CO2BrinePhillipsFluid node :ref:`DATASTRUCTURE_CO2BrinePhillipsFluid` -CO2BrinePhillipsThermalFluid node :ref:`DATASTRUCTURE_CO2BrinePhillipsThermalFluid` -CarmanKozenyPermeability node :ref:`DATASTRUCTURE_CarmanKozenyPermeability` -CeramicDamage node :ref:`DATASTRUCTURE_CeramicDamage` -CompositionalMultiphaseFluid node :ref:`DATASTRUCTURE_CompositionalMultiphaseFluid` -CompositonalTwoPhaseFluidPengRobinson node :ref:`DATASTRUCTURE_CompositonalTwoPhaseFluidPengRobinson` -CompositonalTwoPhaseFluidSoaveRedlichKwong node :ref:`DATASTRUCTURE_CompositonalTwoPhaseFluidSoaveRedlichKwong` -CompressibleSinglePhaseFluid node :ref:`DATASTRUCTURE_CompressibleSinglePhaseFluid` -CompressibleSolidCarmanKozenyPermeability node :ref:`DATASTRUCTURE_CompressibleSolidCarmanKozenyPermeability` -CompressibleSolidConstantPermeability node :ref:`DATASTRUCTURE_CompressibleSolidConstantPermeability` -CompressibleSolidExponentialDecayPermeability node :ref:`DATASTRUCTURE_CompressibleSolidExponentialDecayPermeability` -CompressibleSolidParallelPlatesPermeability node :ref:`DATASTRUCTURE_CompressibleSolidParallelPlatesPermeability` -CompressibleSolidSlipDependentPermeability node :ref:`DATASTRUCTURE_CompressibleSolidSlipDependentPermeability` -CompressibleSolidWillisRichardsPermeability node :ref:`DATASTRUCTURE_CompressibleSolidWillisRichardsPermeability` -ConstantDiffusion node :ref:`DATASTRUCTURE_ConstantDiffusion` -ConstantPermeability node :ref:`DATASTRUCTURE_ConstantPermeability` -Coulomb node :ref:`DATASTRUCTURE_Coulomb` -DamageElasticIsotropic node :ref:`DATASTRUCTURE_DamageElasticIsotropic` -DamageSpectralElasticIsotropic node :ref:`DATASTRUCTURE_DamageSpectralElasticIsotropic` -DamageVolDevElasticIsotropic node :ref:`DATASTRUCTURE_DamageVolDevElasticIsotropic` -DeadOilFluid node :ref:`DATASTRUCTURE_DeadOilFluid` -DelftEgg node :ref:`DATASTRUCTURE_DelftEgg` -DruckerPrager node :ref:`DATASTRUCTURE_DruckerPrager` -ElasticIsotropic node :ref:`DATASTRUCTURE_ElasticIsotropic` -ElasticIsotropicPressureDependent node :ref:`DATASTRUCTURE_ElasticIsotropicPressureDependent` -ElasticOrthotropic node :ref:`DATASTRUCTURE_ElasticOrthotropic` -ElasticTransverseIsotropic node :ref:`DATASTRUCTURE_ElasticTransverseIsotropic` -ExponentialDecayPermeability node :ref:`DATASTRUCTURE_ExponentialDecayPermeability` -ExtendedDruckerPrager node :ref:`DATASTRUCTURE_ExtendedDruckerPrager` -FrictionlessContact node :ref:`DATASTRUCTURE_FrictionlessContact` -JFunctionCapillaryPressure node :ref:`DATASTRUCTURE_JFunctionCapillaryPressure` -LinearIsotropicDispersion node :ref:`DATASTRUCTURE_LinearIsotropicDispersion` -ModifiedCamClay node :ref:`DATASTRUCTURE_ModifiedCamClay` -MultiPhaseConstantThermalConductivity node :ref:`DATASTRUCTURE_MultiPhaseConstantThermalConductivity` -MultiPhaseVolumeWeightedThermalConductivity node :ref:`DATASTRUCTURE_MultiPhaseVolumeWeightedThermalConductivity` -NullModel node :ref:`DATASTRUCTURE_NullModel` -ParallelPlatesPermeability node :ref:`DATASTRUCTURE_ParallelPlatesPermeability` -ParticleFluid node :ref:`DATASTRUCTURE_ParticleFluid` -PerfectlyPlastic node :ref:`DATASTRUCTURE_PerfectlyPlastic` -PermeabilityBase node :ref:`DATASTRUCTURE_PermeabilityBase` -PorousDamageElasticIsotropic node :ref:`DATASTRUCTURE_PorousDamageElasticIsotropic` -PorousDamageSpectralElasticIsotropic node :ref:`DATASTRUCTURE_PorousDamageSpectralElasticIsotropic` -PorousDamageVolDevElasticIsotropic node :ref:`DATASTRUCTURE_PorousDamageVolDevElasticIsotropic` -PorousDelftEgg node :ref:`DATASTRUCTURE_PorousDelftEgg` -PorousDruckerPrager node :ref:`DATASTRUCTURE_PorousDruckerPrager` -PorousElasticIsotropic node :ref:`DATASTRUCTURE_PorousElasticIsotropic` -PorousElasticOrthotropic node :ref:`DATASTRUCTURE_PorousElasticOrthotropic` -PorousElasticTransverseIsotropic node :ref:`DATASTRUCTURE_PorousElasticTransverseIsotropic` -PorousExtendedDruckerPrager node :ref:`DATASTRUCTURE_PorousExtendedDruckerPrager` -PorousModifiedCamClay node :ref:`DATASTRUCTURE_PorousModifiedCamClay` -PorousViscoDruckerPrager node :ref:`DATASTRUCTURE_PorousViscoDruckerPrager` -PorousViscoExtendedDruckerPrager node :ref:`DATASTRUCTURE_PorousViscoExtendedDruckerPrager` -PorousViscoModifiedCamClay node :ref:`DATASTRUCTURE_PorousViscoModifiedCamClay` -PressurePorosity node :ref:`DATASTRUCTURE_PressurePorosity` -ProppantPermeability node :ref:`DATASTRUCTURE_ProppantPermeability` -ProppantPorosity node :ref:`DATASTRUCTURE_ProppantPorosity` -ProppantSlurryFluid node :ref:`DATASTRUCTURE_ProppantSlurryFluid` -ProppantSolidProppantPermeability node :ref:`DATASTRUCTURE_ProppantSolidProppantPermeability` -ReactiveBrine node :ref:`DATASTRUCTURE_ReactiveBrine` -ReactiveBrineThermal node :ref:`DATASTRUCTURE_ReactiveBrineThermal` -SinglePhaseConstantThermalConductivity node :ref:`DATASTRUCTURE_SinglePhaseConstantThermalConductivity` -SlipDependentPermeability node :ref:`DATASTRUCTURE_SlipDependentPermeability` -SolidInternalEnergy node :ref:`DATASTRUCTURE_SolidInternalEnergy` -TableCapillaryPressure node :ref:`DATASTRUCTURE_TableCapillaryPressure` -TableRelativePermeability node :ref:`DATASTRUCTURE_TableRelativePermeability` -TableRelativePermeabilityHysteresis node :ref:`DATASTRUCTURE_TableRelativePermeabilityHysteresis` -ThermalCompressibleSinglePhaseFluid node :ref:`DATASTRUCTURE_ThermalCompressibleSinglePhaseFluid` -VanGenuchtenBakerRelativePermeability node :ref:`DATASTRUCTURE_VanGenuchtenBakerRelativePermeability` -VanGenuchtenCapillaryPressure node :ref:`DATASTRUCTURE_VanGenuchtenCapillaryPressure` -VanGenuchtenStone2RelativePermeability node :ref:`DATASTRUCTURE_VanGenuchtenStone2RelativePermeability` -ViscoDruckerPrager node :ref:`DATASTRUCTURE_ViscoDruckerPrager` -ViscoExtendedDruckerPrager node :ref:`DATASTRUCTURE_ViscoExtendedDruckerPrager` -ViscoModifiedCamClay node :ref:`DATASTRUCTURE_ViscoModifiedCamClay` -WillisRichardsPermeability node :ref:`DATASTRUCTURE_WillisRichardsPermeability` -============================================= ==== ================================================================== +============================================== ==== =================================================================== +Name Type Description +============================================== ==== =================================================================== +BiotPorosity node :ref:`DATASTRUCTURE_BiotPorosity` +BlackOilFluid node :ref:`DATASTRUCTURE_BlackOilFluid` +BrooksCoreyBakerRelativePermeability node :ref:`DATASTRUCTURE_BrooksCoreyBakerRelativePermeability` +BrooksCoreyCapillaryPressure node :ref:`DATASTRUCTURE_BrooksCoreyCapillaryPressure` +BrooksCoreyRelativePermeability node :ref:`DATASTRUCTURE_BrooksCoreyRelativePermeability` +BrooksCoreyStone2RelativePermeability node :ref:`DATASTRUCTURE_BrooksCoreyStone2RelativePermeability` +CO2BrineEzrokhiFluid node :ref:`DATASTRUCTURE_CO2BrineEzrokhiFluid` +CO2BrineEzrokhiThermalFluid node :ref:`DATASTRUCTURE_CO2BrineEzrokhiThermalFluid` +CO2BrinePhillipsFluid node :ref:`DATASTRUCTURE_CO2BrinePhillipsFluid` +CO2BrinePhillipsThermalFluid node :ref:`DATASTRUCTURE_CO2BrinePhillipsThermalFluid` +CarmanKozenyPermeability node :ref:`DATASTRUCTURE_CarmanKozenyPermeability` +CeramicDamage node :ref:`DATASTRUCTURE_CeramicDamage` +CompositionalMultiphaseFluid node :ref:`DATASTRUCTURE_CompositionalMultiphaseFluid` +CompositionalTwoPhaseFluidPengRobinson node :ref:`DATASTRUCTURE_CompositionalTwoPhaseFluidPengRobinson` +CompositionalTwoPhaseFluidPengRobinsonLBC node :ref:`DATASTRUCTURE_CompositionalTwoPhaseFluidPengRobinsonLBC` +CompositionalTwoPhaseFluidSoaveRedlichKwong node :ref:`DATASTRUCTURE_CompositionalTwoPhaseFluidSoaveRedlichKwong` +CompositionalTwoPhaseFluidSoaveRedlichKwongLBC node :ref:`DATASTRUCTURE_CompositionalTwoPhaseFluidSoaveRedlichKwongLBC` +CompressibleSinglePhaseFluid node :ref:`DATASTRUCTURE_CompressibleSinglePhaseFluid` +CompressibleSolidCarmanKozenyPermeability node :ref:`DATASTRUCTURE_CompressibleSolidCarmanKozenyPermeability` +CompressibleSolidConstantPermeability node :ref:`DATASTRUCTURE_CompressibleSolidConstantPermeability` +CompressibleSolidExponentialDecayPermeability node :ref:`DATASTRUCTURE_CompressibleSolidExponentialDecayPermeability` +CompressibleSolidParallelPlatesPermeability node :ref:`DATASTRUCTURE_CompressibleSolidParallelPlatesPermeability` +CompressibleSolidSlipDependentPermeability node :ref:`DATASTRUCTURE_CompressibleSolidSlipDependentPermeability` +CompressibleSolidWillisRichardsPermeability node :ref:`DATASTRUCTURE_CompressibleSolidWillisRichardsPermeability` +ConstantDiffusion node :ref:`DATASTRUCTURE_ConstantDiffusion` +ConstantPermeability node :ref:`DATASTRUCTURE_ConstantPermeability` +Coulomb node :ref:`DATASTRUCTURE_Coulomb` +DamageElasticIsotropic node :ref:`DATASTRUCTURE_DamageElasticIsotropic` +DamageSpectralElasticIsotropic node :ref:`DATASTRUCTURE_DamageSpectralElasticIsotropic` +DamageVolDevElasticIsotropic node :ref:`DATASTRUCTURE_DamageVolDevElasticIsotropic` +DeadOilFluid node :ref:`DATASTRUCTURE_DeadOilFluid` +DelftEgg node :ref:`DATASTRUCTURE_DelftEgg` +DruckerPrager node :ref:`DATASTRUCTURE_DruckerPrager` +ElasticIsotropic node :ref:`DATASTRUCTURE_ElasticIsotropic` +ElasticIsotropicPressureDependent node :ref:`DATASTRUCTURE_ElasticIsotropicPressureDependent` +ElasticOrthotropic node :ref:`DATASTRUCTURE_ElasticOrthotropic` +ElasticTransverseIsotropic node :ref:`DATASTRUCTURE_ElasticTransverseIsotropic` +ExponentialDecayPermeability node :ref:`DATASTRUCTURE_ExponentialDecayPermeability` +ExtendedDruckerPrager node :ref:`DATASTRUCTURE_ExtendedDruckerPrager` +FrictionlessContact node :ref:`DATASTRUCTURE_FrictionlessContact` +JFunctionCapillaryPressure node :ref:`DATASTRUCTURE_JFunctionCapillaryPressure` +LinearIsotropicDispersion node :ref:`DATASTRUCTURE_LinearIsotropicDispersion` +ModifiedCamClay node :ref:`DATASTRUCTURE_ModifiedCamClay` +MultiPhaseConstantThermalConductivity node :ref:`DATASTRUCTURE_MultiPhaseConstantThermalConductivity` +MultiPhaseVolumeWeightedThermalConductivity node :ref:`DATASTRUCTURE_MultiPhaseVolumeWeightedThermalConductivity` +NullModel node :ref:`DATASTRUCTURE_NullModel` +ParallelPlatesPermeability node :ref:`DATASTRUCTURE_ParallelPlatesPermeability` +ParticleFluid node :ref:`DATASTRUCTURE_ParticleFluid` +PerfectlyPlastic node :ref:`DATASTRUCTURE_PerfectlyPlastic` +PorousDamageElasticIsotropic node :ref:`DATASTRUCTURE_PorousDamageElasticIsotropic` +PorousDamageSpectralElasticIsotropic node :ref:`DATASTRUCTURE_PorousDamageSpectralElasticIsotropic` +PorousDamageVolDevElasticIsotropic node :ref:`DATASTRUCTURE_PorousDamageVolDevElasticIsotropic` +PorousDelftEgg node :ref:`DATASTRUCTURE_PorousDelftEgg` +PorousDruckerPrager node :ref:`DATASTRUCTURE_PorousDruckerPrager` +PorousElasticIsotropic node :ref:`DATASTRUCTURE_PorousElasticIsotropic` +PorousElasticOrthotropic node :ref:`DATASTRUCTURE_PorousElasticOrthotropic` +PorousElasticTransverseIsotropic node :ref:`DATASTRUCTURE_PorousElasticTransverseIsotropic` +PorousExtendedDruckerPrager node :ref:`DATASTRUCTURE_PorousExtendedDruckerPrager` +PorousModifiedCamClay node :ref:`DATASTRUCTURE_PorousModifiedCamClay` +PorousViscoDruckerPrager node :ref:`DATASTRUCTURE_PorousViscoDruckerPrager` +PorousViscoExtendedDruckerPrager node :ref:`DATASTRUCTURE_PorousViscoExtendedDruckerPrager` +PorousViscoModifiedCamClay node :ref:`DATASTRUCTURE_PorousViscoModifiedCamClay` +PressurePorosity node :ref:`DATASTRUCTURE_PressurePorosity` +ProppantPermeability node :ref:`DATASTRUCTURE_ProppantPermeability` +ProppantPorosity node :ref:`DATASTRUCTURE_ProppantPorosity` +ProppantSlurryFluid node :ref:`DATASTRUCTURE_ProppantSlurryFluid` +ProppantSolidProppantPermeability node :ref:`DATASTRUCTURE_ProppantSolidProppantPermeability` +ReactiveBrine node :ref:`DATASTRUCTURE_ReactiveBrine` +ReactiveBrineThermal node :ref:`DATASTRUCTURE_ReactiveBrineThermal` +SinglePhaseConstantThermalConductivity node :ref:`DATASTRUCTURE_SinglePhaseConstantThermalConductivity` +SlipDependentPermeability node :ref:`DATASTRUCTURE_SlipDependentPermeability` +SolidInternalEnergy node :ref:`DATASTRUCTURE_SolidInternalEnergy` +TableCapillaryPressure node :ref:`DATASTRUCTURE_TableCapillaryPressure` +TableRelativePermeability node :ref:`DATASTRUCTURE_TableRelativePermeability` +TableRelativePermeabilityHysteresis node :ref:`DATASTRUCTURE_TableRelativePermeabilityHysteresis` +ThermalCompressibleSinglePhaseFluid node :ref:`DATASTRUCTURE_ThermalCompressibleSinglePhaseFluid` +VanGenuchtenBakerRelativePermeability node :ref:`DATASTRUCTURE_VanGenuchtenBakerRelativePermeability` +VanGenuchtenCapillaryPressure node :ref:`DATASTRUCTURE_VanGenuchtenCapillaryPressure` +VanGenuchtenStone2RelativePermeability node :ref:`DATASTRUCTURE_VanGenuchtenStone2RelativePermeability` +ViscoDruckerPrager node :ref:`DATASTRUCTURE_ViscoDruckerPrager` +ViscoExtendedDruckerPrager node :ref:`DATASTRUCTURE_ViscoExtendedDruckerPrager` +ViscoModifiedCamClay node :ref:`DATASTRUCTURE_ViscoModifiedCamClay` +WillisRichardsPermeability node :ref:`DATASTRUCTURE_WillisRichardsPermeability` +============================================== ==== =================================================================== diff --git a/src/coreComponents/schema/docs/ElasticFirstOrderSEM_other.rst b/src/coreComponents/schema/docs/ElasticFirstOrderSEM_other.rst index 67c4b18bc7c..24ca5ae2f69 100644 --- a/src/coreComponents/schema/docs/ElasticFirstOrderSEM_other.rst +++ b/src/coreComponents/schema/docs/ElasticFirstOrderSEM_other.rst @@ -12,8 +12,8 @@ linearDASVectorY real32_array linearDASVectorZ real32_array Z component of the linear DAS direction vector maxStableDt real64 Value of the Maximum Stable Timestep for this solver. meshTargets geos_mapBase, LvArray_Array, int, LvArray_ChaiBuffer>, std_integral_constant > MeshBody/Region combinations that the solver will be applied to. -rcvElem integer_array Element containing the receivers receiverConstants real64_array2d Constant part of the receiver for the nodes listed in m_receiverNodeIds +receiverElem integer_array Element containing the receivers receiverIsLocal integer_array Flag that indicates whether the receiver is local to this MPI rank receiverNodeIds integer_array2d Indices of the nodes (in the right order) for each receiver point receiverRegion integer_array Region containing the receivers diff --git a/src/coreComponents/schema/docs/ElasticSEM_other.rst b/src/coreComponents/schema/docs/ElasticSEM_other.rst index dbe0ac40e7a..2e9e89c914f 100644 --- a/src/coreComponents/schema/docs/ElasticSEM_other.rst +++ b/src/coreComponents/schema/docs/ElasticSEM_other.rst @@ -13,8 +13,8 @@ linearDASVectorY real32_array linearDASVectorZ real32_array Z component of the linear DAS direction vector maxStableDt real64 Value of the Maximum Stable Timestep for this solver. meshTargets geos_mapBase, LvArray_Array, int, LvArray_ChaiBuffer>, std_integral_constant > MeshBody/Region combinations that the solver will be applied to. -rcvElem integer_array Element containing the receivers receiverConstants real64_array2d Constant part of the receiver for the nodes listed in m_receiverNodeIds +receiverElem integer_array Element containing the receivers receiverIsLocal integer_array Flag that indicates whether the receiver is local to this MPI rank receiverNodeIds integer_array2d Indices of the nodes (in the right order) for each receiver point receiverRegion integer_array Region containing the receivers diff --git a/src/coreComponents/schema/docs/NonlinearSolverParameters.rst b/src/coreComponents/schema/docs/NonlinearSolverParameters.rst index 0a48c42e401..bf61e0939db 100644 --- a/src/coreComponents/schema/docs/NonlinearSolverParameters.rst +++ b/src/coreComponents/schema/docs/NonlinearSolverParameters.rst @@ -16,6 +16,7 @@ lineSearchInterpolationType geos_NonlinearSolverParameters_LineSearchInterpol | * Linear | * Parabolic lineSearchMaxCuts integer 4 Maximum number of line search cuts. +lineSearchResidualFactor real64 1 Factor to determine residual increase (recommended values: 1.1 (conservative), 2.0 (relaxed), 10.0 (aggressive)). lineSearchStartingIteration integer 0 Iteration when line search starts. logLevel integer 0 Log level maxAllowedResidualNorm real64 1e+09 Maximum value of residual norm that is allowed in a Newton loop diff --git a/src/coreComponents/schema/docs/PVTDriver.rst b/src/coreComponents/schema/docs/PVTDriver.rst index 6faf196ec68..9196c73c11a 100644 --- a/src/coreComponents/schema/docs/PVTDriver.rst +++ b/src/coreComponents/schema/docs/PVTDriver.rst @@ -1,19 +1,20 @@ -====================== ============ ======== ================================================================ -Name Type Default Description -====================== ============ ======== ================================================================ -baseline path none Baseline file -feedComposition real64_array required Feed composition array [mol fraction] -fluid groupNameRef required Fluid to test -logLevel integer 0 Log level -name groupName required A name is required for any non-unique nodes -output string none Output file -outputCompressibility integer 0 Flag to indicate that the total compressibility should be output -outputPhaseComposition integer 0 Flag to indicate that phase compositions should be output -pressureControl groupNameRef required Function controlling pressure time history -steps integer required Number of load steps to take -temperatureControl groupNameRef required Function controlling temperature time history -====================== ============ ======== ================================================================ +====================== ============ ======== ===================================================================== +Name Type Default Description +====================== ============ ======== ===================================================================== +baseline path none Baseline file +feedComposition real64_array required Feed composition array [mol fraction] +fluid groupNameRef required Fluid to test +logLevel integer 0 Log level +name groupName required A name is required for any non-unique nodes +output string none Output file +outputCompressibility integer 0 Flag to indicate that the total compressibility should be output +outputMassDensity integer 0 Flag to indicate that the mass density of each phase should be output +outputPhaseComposition integer 0 Flag to indicate that phase compositions should be output +pressureControl groupNameRef required Function controlling pressure time history +steps integer required Number of load steps to take +temperatureControl groupNameRef required Function controlling temperature time history +====================== ============ ======== ===================================================================== diff --git a/src/coreComponents/schema/docs/PermeabilityBase.rst b/src/coreComponents/schema/docs/PermeabilityBase.rst deleted file mode 100644 index f6c735e1d91..00000000000 --- a/src/coreComponents/schema/docs/PermeabilityBase.rst +++ /dev/null @@ -1,9 +0,0 @@ - - -==== ========= ======== =========================================== -Name Type Default Description -==== ========= ======== =========================================== -name groupName required A name is required for any non-unique nodes -==== ========= ======== =========================================== - - diff --git a/src/coreComponents/schema/docs/PermeabilityBase_other.rst b/src/coreComponents/schema/docs/PermeabilityBase_other.rst deleted file mode 100644 index fa997a57413..00000000000 --- a/src/coreComponents/schema/docs/PermeabilityBase_other.rst +++ /dev/null @@ -1,10 +0,0 @@ - - -=============== ============== ======================================================== -Name Type Description -=============== ============== ======================================================== -dPerm_dPressure real64_array3d Derivative of rock permeability with respect to pressure -permeability real64_array3d Rock permeability -=============== ============== ======================================================== - - diff --git a/src/coreComponents/schema/docs/SolidMechanicsLagrangeContact.rst b/src/coreComponents/schema/docs/SolidMechanicsLagrangeContact.rst index dcc17ebc657..9e6224ccea1 100644 --- a/src/coreComponents/schema/docs/SolidMechanicsLagrangeContact.rst +++ b/src/coreComponents/schema/docs/SolidMechanicsLagrangeContact.rst @@ -1,29 +1,30 @@ -========================= ====================================================== =============== ======================================================================================================================================================================================================================================================================================================================== -Name Type Default Description -========================= ====================================================== =============== ======================================================================================================================================================================================================================================================================================================================== -cflFactor real64 0.5 Factor to apply to the `CFL condition `_ when calculating the maximum allowable time step. Values should be in the interval (0,1] -discretization groupNameRef required Name of discretization object (defined in the :ref:`NumericalMethodsManager`) to use for this solver. For instance, if this is a Finite Element Solver, the name of a :ref:`FiniteElement` should be specified. If this is a Finite Volume Method, the name of a :ref:`FiniteVolume` discretization should be specified. -initialDt real64 1e+99 Initial time-step value required by the solver to the event manager. -logLevel integer 0 Log level -massDamping real64 0 Value of mass based damping coefficient. -maxNumResolves integer 10 Value to indicate how many resolves may be executed after some other event is executed. For example, if a SurfaceGenerator is specified, it will be executed after the mechanics solve. However if a new surface is generated, then the mechanics solve must be executed again due to the change in topology. -name groupName required A name is required for any non-unique nodes -newmarkBeta real64 0.25 Value of :math:`\beta` in the Newmark Method for Implicit Dynamic time integration option. This should be pow(newmarkGamma+0.5,2.0)/4.0 unless you know what you are doing. -newmarkGamma real64 0.5 Value of :math:`\gamma` in the Newmark Method for Implicit Dynamic time integration option -stabilizationName groupNameRef required Name of the stabilization to use in the lagrangian contact solver -stiffnessDamping real64 0 Value of stiffness based damping coefficient. -strainTheory integer 0 | Indicates whether or not to use `Infinitesimal Strain Theory `_, or `Finite Strain Theory `_. Valid Inputs are: - | 0 - Infinitesimal Strain - | 1 - Finite Strain -targetRegions groupNameRef_array required Allowable regions that the solver may be applied to. Note that this does not indicate that the solver will be applied to these regions, only that allocation will occur such that the solver may be applied to these regions. The decision about what regions this solver will beapplied to rests in the EventManager. -timeIntegrationOption geos_SolidMechanicsLagrangianFEM_TimeIntegrationOption ExplicitDynamic | Time integration method. Options are: - | * QuasiStatic - | * ImplicitDynamic - | * ExplicitDynamic -LinearSolverParameters node unique :ref:`XML_LinearSolverParameters` -NonlinearSolverParameters node unique :ref:`XML_NonlinearSolverParameters` -========================= ====================================================== =============== ======================================================================================================================================================================================================================================================================================================================== +=============================== ====================================================== =============== ======================================================================================================================================================================================================================================================================================================================== +Name Type Default Description +=============================== ====================================================== =============== ======================================================================================================================================================================================================================================================================================================================== +cflFactor real64 0.5 Factor to apply to the `CFL condition `_ when calculating the maximum allowable time step. Values should be in the interval (0,1] +discretization groupNameRef required Name of discretization object (defined in the :ref:`NumericalMethodsManager`) to use for this solver. For instance, if this is a Finite Element Solver, the name of a :ref:`FiniteElement` should be specified. If this is a Finite Volume Method, the name of a :ref:`FiniteVolume` discretization should be specified. +initialDt real64 1e+99 Initial time-step value required by the solver to the event manager. +logLevel integer 0 Log level +massDamping real64 0 Value of mass based damping coefficient. +maxNumResolves integer 10 Value to indicate how many resolves may be executed after some other event is executed. For example, if a SurfaceGenerator is specified, it will be executed after the mechanics solve. However if a new surface is generated, then the mechanics solve must be executed again due to the change in topology. +name groupName required A name is required for any non-unique nodes +newmarkBeta real64 0.25 Value of :math:`\beta` in the Newmark Method for Implicit Dynamic time integration option. This should be pow(newmarkGamma+0.5,2.0)/4.0 unless you know what you are doing. +newmarkGamma real64 0.5 Value of :math:`\gamma` in the Newmark Method for Implicit Dynamic time integration option +stabilizationName groupNameRef required Name of the stabilization to use in the lagrangian contact solver +stabilizationScalingCoefficient real64 1 It be used to increase the scale of the stabilization entries. A value < 1.0 results in larger entries in the stabilization matrix. +stiffnessDamping real64 0 Value of stiffness based damping coefficient. +strainTheory integer 0 | Indicates whether or not to use `Infinitesimal Strain Theory `_, or `Finite Strain Theory `_. Valid Inputs are: + | 0 - Infinitesimal Strain + | 1 - Finite Strain +targetRegions groupNameRef_array required Allowable regions that the solver may be applied to. Note that this does not indicate that the solver will be applied to these regions, only that allocation will occur such that the solver may be applied to these regions. The decision about what regions this solver will beapplied to rests in the EventManager. +timeIntegrationOption geos_SolidMechanicsLagrangianFEM_TimeIntegrationOption ExplicitDynamic | Time integration method. Options are: + | * QuasiStatic + | * ImplicitDynamic + | * ExplicitDynamic +LinearSolverParameters node unique :ref:`XML_LinearSolverParameters` +NonlinearSolverParameters node unique :ref:`XML_NonlinearSolverParameters` +=============================== ====================================================== =============== ======================================================================================================================================================================================================================================================================================================================== diff --git a/src/coreComponents/schema/docs/elementRegionsGroup_other.rst b/src/coreComponents/schema/docs/elementRegionsGroup_other.rst index 4fd505d0214..adf1c1b8aec 100644 --- a/src/coreComponents/schema/docs/elementRegionsGroup_other.rst +++ b/src/coreComponents/schema/docs/elementRegionsGroup_other.rst @@ -1,11 +1,9 @@ -==================== ==== ========================================= -Name Type Description -==================== ==== ========================================= -CellElementRegion node :ref:`DATASTRUCTURE_CellElementRegion` -SurfaceElementRegion node :ref:`DATASTRUCTURE_SurfaceElementRegion` -WellElementRegion node :ref:`DATASTRUCTURE_WellElementRegion` -==================== ==== ========================================= +==== ==== ============================ +Name Type Description +==== ==== ============================ + (no documentation available) +==== ==== ============================ diff --git a/src/coreComponents/schema/docs/particleRegionsGroup_other.rst b/src/coreComponents/schema/docs/particleRegionsGroup_other.rst index 4a1517c2a56..adf1c1b8aec 100644 --- a/src/coreComponents/schema/docs/particleRegionsGroup_other.rst +++ b/src/coreComponents/schema/docs/particleRegionsGroup_other.rst @@ -1,9 +1,9 @@ -============== ==== =================================== -Name Type Description -============== ==== =================================== -ParticleRegion node :ref:`DATASTRUCTURE_ParticleRegion` -============== ==== =================================== +==== ==== ============================ +Name Type Description +==== ==== ============================ + (no documentation available) +==== ==== ============================ diff --git a/src/coreComponents/schema/schema.xsd b/src/coreComponents/schema/schema.xsd index c814c8b81ca..02c64029bf4 100644 --- a/src/coreComponents/schema/schema.xsd +++ b/src/coreComponents/schema/schema.xsd @@ -565,12 +565,20 @@ - - + + - - + + + + + + + + + + @@ -701,10 +709,6 @@ - - - - @@ -1868,6 +1872,8 @@ the relative residual norm satisfies: + + @@ -3352,6 +3358,8 @@ Local - Add stabilization only to interiors of macro elements.--> + + + + @@ -3763,8 +3773,10 @@ Local - Add stabilization only to interiors of macro elements.--> - - + + + + @@ -3797,7 +3809,6 @@ Local - Add stabilization only to interiors of macro elements.--> - @@ -4075,6 +4086,8 @@ The expected format is "{ waterMax, oilMax }", in that order--> + + @@ -4082,7 +4095,7 @@ The expected format is "{ waterMax, oilMax }", in that order--> - + @@ -4106,7 +4119,55 @@ The expected format is "{ waterMax, oilMax }", in that order--> - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + @@ -4755,10 +4816,6 @@ If you want to do a three-phase simulation, please use instead wettingIntermedia - - - - diff --git a/src/coreComponents/schema/schema.xsd.other b/src/coreComponents/schema/schema.xsd.other index 1e0a54c1348..0095e1586d3 100644 --- a/src/coreComponents/schema/schema.xsd.other +++ b/src/coreComponents/schema/schema.xsd.other @@ -590,10 +590,10 @@ - - + + @@ -641,10 +641,10 @@ - - + + @@ -682,10 +682,10 @@ - - + + @@ -800,10 +800,10 @@ - - + + @@ -863,10 +863,10 @@ - - + + @@ -1358,8 +1358,10 @@ - - + + + + @@ -1392,7 +1394,6 @@ - @@ -1831,7 +1832,7 @@ - + @@ -1848,6 +1849,8 @@ + + @@ -1877,7 +1880,7 @@ - + @@ -1894,6 +1897,104 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + @@ -2361,12 +2462,6 @@ - - - - - - @@ -2885,18 +2980,18 @@ - - - - - - + + + + + - + - + + @@ -2909,24 +3004,16 @@ - - - - - - - - - - - + + - + + @@ -2935,15 +3022,18 @@ + + - + - + + @@ -2952,24 +3042,24 @@ - - - - + + - + - - - - - - + + + + + + + + @@ -2978,35 +3068,36 @@ - - - - - - - - - - - - - - - - - - - - + + + + + + - - + + + + + + + + + + + + + + + + + @@ -3015,32 +3106,30 @@ - - - - - - - - - - - - - - - - + + + + - + - - + + + + + + + + + + + + @@ -3049,16 +3138,13 @@ + + - - - - - - + + - @@ -3072,16 +3158,19 @@ - - + + + + + + + - - @@ -3090,18 +3179,15 @@ - - - + + - - @@ -3110,24 +3196,24 @@ - - + + + + - + + + - - - - - - - - + + + + @@ -3136,36 +3222,35 @@ - - - - - - + + + + + + + + + + + + + + + + + + + + - + + - - - - - - - - - - - - - - - - @@ -3174,30 +3259,31 @@ - - - - + + + + + + + + + + + + + + + + - + + - - - - - - - - - - - - @@ -3206,7 +3292,6 @@ - - + diff --git a/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional.xml b/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional.xml new file mode 100644 index 00000000000..8a2bab3b501 --- /dev/null +++ b/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional.xml @@ -0,0 +1,192 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional_liveOilPR.txt b/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional_liveOilPR.txt new file mode 100644 index 00000000000..d0479350bf9 --- /dev/null +++ b/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional_liveOilPR.txt @@ -0,0 +1,112 @@ +# column 1 = time +# column 2 = pressure +# column 3 = temperature +# column 4 = density +# column 5 = total compressibility +# columns 6-7 = phase fractions +# columns 8-9 = phase densities +# columns 10-11 = phase mass densities +# columns 12-13 = phase viscosities +# columns 14-22 = oil phase fractions [CO2, N2, C1, C2, C3, C4, C5, C6, C7+] +# columns 23-31 = gas phase fractions [CO2, N2, C1, C2, C3, C4, C5, C6, C7+] +0.0000e+00 3.5000e+07 5.5315e+02 6.8078e+03 1.3932e-08 1.0000e+00 0.0000e+00 6.8078e+03 6.8078e+03 3.4772e+02 3.4772e+02 1.0000e-03 1.0000e-03 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +2.0000e-02 3.4000e+07 5.5315e+02 6.7113e+03 1.4639e-08 1.0000e+00 0.0000e+00 6.7113e+03 6.7113e+03 3.4279e+02 3.4279e+02 1.0000e-03 1.0000e-03 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +4.0000e-02 3.3000e+07 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4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9600e+00 3.3000e+07 5.8315e+02 6.1964e+03 1.6856e-08 0.0000e+00 1.0000e+00 6.1964e+03 6.1964e+03 3.1649e+02 3.1649e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9800e+00 3.4000e+07 5.8315e+02 6.2991e+03 1.6030e-08 0.0000e+00 1.0000e+00 6.2991e+03 6.2991e+03 3.2174e+02 3.2174e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +2.0000e+00 3.5000e+07 5.8315e+02 6.3984e+03 1.5268e-08 0.0000e+00 1.0000e+00 6.3984e+03 6.3984e+03 3.2681e+02 3.2681e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 diff --git a/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional_liveOilPRLBC.txt b/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional_liveOilPRLBC.txt new file mode 100644 index 00000000000..9094419bc8a --- /dev/null +++ b/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional_liveOilPRLBC.txt @@ -0,0 +1,1012 @@ +# column 1 = time +# column 2 = pressure +# column 3 = temperature +# column 4 = density +# column 5 = total compressibility +# columns 6-7 = phase fractions +# columns 8-9 = phase densities +# columns 10-11 = phase mass densities +# columns 12-13 = phase viscosities +# columns 14-22 = oil phase fractions [CO2, N2, C1, C2, C3, C4, C5, C6, C7+] +# columns 23-31 = gas phase fractions [CO2, N2, C1, C2, C3, C4, C5, C6, C7+] +0.0000e+00 3.5000e+07 5.5315e+02 6.8078e+03 1.3932e-08 1.0000e+00 0.0000e+00 6.8078e+03 6.8078e+03 3.4772e+02 3.4772e+02 4.5175e-05 4.5175e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +2.0000e-03 3.4900e+07 5.5315e+02 6.7983e+03 1.4001e-08 1.0000e+00 0.0000e+00 6.7983e+03 6.7983e+03 3.4724e+02 3.4724e+02 4.5093e-05 4.5093e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +4.0000e-03 3.4800e+07 5.5315e+02 6.7887e+03 1.4069e-08 1.0000e+00 0.0000e+00 6.7887e+03 6.7887e+03 3.4675e+02 3.4675e+02 4.5010e-05 4.5010e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +6.0000e-03 3.4700e+07 5.5315e+02 6.7792e+03 1.4138e-08 1.0000e+00 0.0000e+00 6.7792e+03 6.7792e+03 3.4626e+02 3.4626e+02 4.4928e-05 4.4928e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +8.0000e-03 3.4600e+07 5.5315e+02 6.7696e+03 1.4208e-08 1.0000e+00 0.0000e+00 6.7696e+03 6.7696e+03 3.4577e+02 3.4577e+02 4.4845e-05 4.4845e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +1.0000e-02 3.4500e+07 5.5315e+02 6.7599e+03 1.4278e-08 1.0000e+00 0.0000e+00 6.7599e+03 6.7599e+03 3.4528e+02 3.4528e+02 4.4762e-05 4.4762e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +1.2000e-02 3.4400e+07 5.5315e+02 6.7503e+03 1.4349e-08 1.0000e+00 0.0000e+00 6.7503e+03 6.7503e+03 3.4479e+02 3.4479e+02 4.4679e-05 4.4679e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +1.4000e-02 3.4300e+07 5.5315e+02 6.7406e+03 1.4421e-08 1.0000e+00 0.0000e+00 6.7406e+03 6.7406e+03 3.4429e+02 3.4429e+02 4.4596e-05 4.4596e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +1.6000e-02 3.4200e+07 5.5315e+02 6.7308e+03 1.4493e-08 1.0000e+00 0.0000e+00 6.7308e+03 6.7308e+03 3.4379e+02 3.4379e+02 4.4513e-05 4.4513e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +1.8000e-02 3.4100e+07 5.5315e+02 6.7211e+03 1.4566e-08 1.0000e+00 0.0000e+00 6.7211e+03 6.7211e+03 3.4329e+02 3.4329e+02 4.4430e-05 4.4430e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +2.0000e-02 3.4000e+07 5.5315e+02 6.7113e+03 1.4639e-08 1.0000e+00 0.0000e+00 6.7113e+03 6.7113e+03 3.4279e+02 3.4279e+02 4.4346e-05 4.4346e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +2.2000e-02 3.3900e+07 5.5315e+02 6.7014e+03 1.4713e-08 1.0000e+00 0.0000e+00 6.7014e+03 6.7014e+03 3.4229e+02 3.4229e+02 4.4263e-05 4.4263e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +2.4000e-02 3.3800e+07 5.5315e+02 6.6915e+03 1.4787e-08 1.0000e+00 0.0000e+00 6.6915e+03 6.6915e+03 3.4179e+02 3.4179e+02 4.4179e-05 4.4179e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +2.6000e-02 3.3700e+07 5.5315e+02 6.6816e+03 1.4862e-08 1.0000e+00 0.0000e+00 6.6816e+03 6.6816e+03 3.4128e+02 3.4128e+02 4.4095e-05 4.4095e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +2.8000e-02 3.3600e+07 5.5315e+02 6.6717e+03 1.4938e-08 1.0000e+00 0.0000e+00 6.6717e+03 6.6717e+03 3.4077e+02 3.4077e+02 4.4012e-05 4.4012e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 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2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +4.8000e-02 3.2600e+07 5.5315e+02 6.5702e+03 1.5731e-08 1.0000e+00 0.0000e+00 6.5702e+03 6.5702e+03 3.3559e+02 3.3559e+02 4.3165e-05 4.3165e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +5.0000e-02 3.2500e+07 5.5315e+02 6.5598e+03 1.5814e-08 1.0000e+00 0.0000e+00 6.5598e+03 6.5598e+03 3.3506e+02 3.3506e+02 4.3080e-05 4.3080e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +5.2000e-02 3.2400e+07 5.5315e+02 6.5494e+03 1.5898e-08 1.0000e+00 0.0000e+00 6.5494e+03 6.5494e+03 3.3453e+02 3.3453e+02 4.2994e-05 4.2994e-05 9.0000e-03 3.0000e-03 5.3470e-01 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6.3886e+03 1.5342e-08 0.0000e+00 1.0000e+00 6.3886e+03 6.3886e+03 3.2631e+02 3.2631e+02 4.2297e-05 4.2297e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +2.0000e+00 3.5000e+07 5.8315e+02 6.3984e+03 1.5268e-08 0.0000e+00 1.0000e+00 6.3984e+03 6.3984e+03 3.2681e+02 3.2681e+02 4.2375e-05 4.2375e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 diff --git a/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional_liveOilSRK.txt b/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional_liveOilSRK.txt new file mode 100644 index 00000000000..b2034f4c56a --- /dev/null +++ b/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional_liveOilSRK.txt @@ -0,0 +1,112 @@ +# column 1 = time +# column 2 = pressure +# column 3 = temperature +# column 4 = density +# column 5 = total compressibility +# columns 6-7 = phase fractions +# columns 8-9 = phase densities +# columns 10-11 = phase mass densities +# columns 12-13 = phase viscosities +# columns 14-22 = oil phase fractions [CO2, N2, C1, C2, C3, C4, C5, C6, C7+] +# columns 23-31 = gas phase fractions [CO2, N2, C1, C2, C3, C4, C5, C6, C7+] +0.0000e+00 3.5000e+07 5.5315e+02 6.3045e+03 1.3265e-08 1.0000e+00 0.0000e+00 6.3045e+03 6.3045e+03 3.2202e+02 3.2202e+02 1.0000e-03 1.0000e-03 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +2.0000e-02 3.4000e+07 5.5315e+02 6.2193e+03 1.3936e-08 1.0000e+00 0.0000e+00 6.2193e+03 6.2193e+03 3.1767e+02 3.1767e+02 1.0000e-03 1.0000e-03 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +4.0000e-02 3.3000e+07 5.5315e+02 6.1311e+03 1.4665e-08 1.0000e+00 0.0000e+00 6.1311e+03 6.1311e+03 3.1316e+02 3.1316e+02 1.0000e-03 1.0000e-03 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +6.0000e-02 3.2000e+07 5.5315e+02 6.0394e+03 1.5459e-08 1.0000e+00 0.0000e+00 6.0394e+03 6.0394e+03 3.0848e+02 3.0848e+02 1.0000e-03 1.0000e-03 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +8.0000e-02 3.1000e+07 5.5315e+02 5.9442e+03 1.6327e-08 1.0000e+00 0.0000e+00 5.9442e+03 5.9442e+03 3.0362e+02 3.0362e+02 1.0000e-03 1.0000e-03 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +1.0000e-01 3.0000e+07 5.5315e+02 5.8453e+03 1.7277e-08 1.0000e+00 0.0000e+00 5.8453e+03 5.8453e+03 2.9856e+02 2.9856e+02 1.0000e-03 1.0000e-03 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +1.2000e-01 2.9000e+07 5.5315e+02 5.7422e+03 1.8321e-08 1.0000e+00 0.0000e+00 5.7422e+03 5.7422e+03 2.9330e+02 2.9330e+02 1.0000e-03 1.0000e-03 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +1.4000e-01 2.8000e+07 5.5315e+02 5.6347e+03 1.9473e-08 1.0000e+00 0.0000e+00 5.6347e+03 5.6347e+03 2.8781e+02 2.8781e+02 1.0000e-03 1.0000e-03 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +1.6000e-01 2.7000e+07 5.5315e+02 5.5226e+03 2.0746e-08 0.0000e+00 1.0000e+00 5.5226e+03 5.5226e+03 2.8208e+02 2.8208e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.8000e-01 2.6000e+07 5.5315e+02 5.4055e+03 2.2159e-08 0.0000e+00 1.0000e+00 5.4055e+03 5.4055e+03 2.7610e+02 2.7610e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +2.0000e-01 2.5000e+07 5.5315e+02 5.2829e+03 2.3733e-08 0.0000e+00 1.0000e+00 5.2829e+03 5.2829e+03 2.6984e+02 2.6984e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +2.2000e-01 2.4000e+07 5.5315e+02 5.1546e+03 2.5493e-08 0.0000e+00 1.0000e+00 5.1546e+03 5.1546e+03 2.6328e+02 2.6328e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +2.4000e-01 2.3000e+07 5.5315e+02 5.0200e+03 2.7469e-08 0.0000e+00 1.0000e+00 5.0200e+03 5.0200e+03 2.5641e+02 2.5641e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +2.6000e-01 2.2000e+07 5.5315e+02 4.8786e+03 2.9694e-08 0.0000e+00 1.0000e+00 4.8786e+03 4.8786e+03 2.4919e+02 2.4919e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +2.8000e-01 2.1000e+07 5.5315e+02 4.7301e+03 3.2211e-08 0.0000e+00 1.0000e+00 4.7301e+03 4.7301e+03 2.4160e+02 2.4160e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +3.0000e-01 2.0000e+07 5.5315e+02 4.5737e+03 3.5068e-08 0.0000e+00 1.0000e+00 4.5737e+03 4.5737e+03 2.3361e+02 2.3361e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +3.2000e-01 1.9000e+07 5.5315e+02 4.4091e+03 3.8325e-08 0.0000e+00 1.0000e+00 4.4091e+03 4.4091e+03 2.2520e+02 2.2520e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +3.4000e-01 1.8000e+07 5.5315e+02 4.2347e+03 4.1795e-08 2.3675e-01 7.6325e-01 4.4993e+03 4.1589e+03 3.0206e+02 1.9775e+02 1.0000e-03 1.0000e-03 7.9266e-03 2.3296e-03 4.4197e-01 1.0420e-01 8.5138e-02 4.6987e-02 2.2860e-02 1.7555e-02 2.7104e-01 9.2358e-03 3.1473e-03 5.5507e-01 1.1688e-01 8.8507e-02 4.5295e-02 2.0469e-02 1.4561e-02 1.4683e-01 +3.6000e-01 1.7000e+07 5.5315e+02 4.0560e+03 4.4524e-08 3.0609e-01 6.9391e-01 4.4207e+03 3.9136e+03 3.2372e+02 1.7636e+02 1.0000e-03 1.0000e-03 7.5002e-03 2.0982e-03 4.0806e-01 9.9831e-02 8.3535e-02 4.7156e-02 2.3431e-02 1.8367e-02 3.1002e-01 9.4071e-03 3.2448e-03 5.6908e-01 1.1861e-01 8.9085e-02 4.5177e-02 2.0213e-02 1.4213e-02 1.3097e-01 +3.8000e-01 1.6000e+07 5.5315e+02 3.8734e+03 4.7696e-08 3.3422e-01 6.6578e-01 4.3320e+03 3.6779e+03 3.4060e+02 1.5976e+02 1.0000e-03 1.0000e-03 7.1117e-03 1.9066e-03 3.7885e-01 9.5701e-02 8.1761e-02 4.7069e-02 2.3818e-02 1.9001e-02 3.4479e-01 9.5237e-03 3.3032e-03 5.7792e-01 1.1984e-01 8.9603e-02 4.5193e-02 2.0091e-02 1.4018e-02 1.2050e-01 +4.0000e-01 1.5000e+07 5.5315e+02 3.6863e+03 5.1419e-08 3.4849e-01 6.5151e-01 4.2392e+03 3.4459e+03 3.5504e+02 1.4562e+02 1.0000e-03 1.0000e-03 6.7341e-03 1.7363e-03 3.5186e-01 9.1554e-02 7.9750e-02 4.6759e-02 2.4068e-02 1.9517e-02 3.7803e-01 9.6116e-03 3.3411e-03 5.8405e-01 1.2082e-01 9.0100e-02 4.5287e-02 2.0045e-02 1.3908e-02 1.1284e-01 +4.2000e-01 1.4000e+07 5.5315e+02 3.4940e+03 5.5834e-08 3.5574e-01 6.4426e-01 4.1447e+03 3.2153e+03 3.6794e+02 1.3304e+02 1.0000e-03 1.0000e-03 6.3570e-03 1.5798e-03 3.2615e-01 8.7288e-02 7.7465e-02 4.6228e-02 2.4191e-02 1.9928e-02 4.1082e-01 9.6802e-03 3.3655e-03 5.8837e-01 1.2163e-01 9.0586e-02 4.5438e-02 2.0053e-02 1.3857e-02 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4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.8400e+00 2.7000e+07 5.8315e+02 5.1453e+03 2.2601e-08 0.0000e+00 1.0000e+00 5.1453e+03 5.1453e+03 2.6281e+02 2.6281e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.8600e+00 2.8000e+07 5.8315e+02 5.2593e+03 2.1251e-08 0.0000e+00 1.0000e+00 5.2593e+03 5.2593e+03 2.6863e+02 2.6863e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.8800e+00 2.9000e+07 5.8315e+02 5.3689e+03 2.0024e-08 0.0000e+00 1.0000e+00 5.3689e+03 5.3689e+03 2.7423e+02 2.7423e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9000e+00 3.0000e+07 5.8315e+02 5.4744e+03 1.8906e-08 0.0000e+00 1.0000e+00 5.4744e+03 5.4744e+03 2.7962e+02 2.7962e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9200e+00 3.1000e+07 5.8315e+02 5.5760e+03 1.7885e-08 0.0000e+00 1.0000e+00 5.5760e+03 5.5760e+03 2.8481e+02 2.8481e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9400e+00 3.2000e+07 5.8315e+02 5.6739e+03 1.6949e-08 0.0000e+00 1.0000e+00 5.6739e+03 5.6739e+03 2.8981e+02 2.8981e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9600e+00 3.3000e+07 5.8315e+02 5.7684e+03 1.6090e-08 0.0000e+00 1.0000e+00 5.7684e+03 5.7684e+03 2.9463e+02 2.9463e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9800e+00 3.4000e+07 5.8315e+02 5.8596e+03 1.5299e-08 0.0000e+00 1.0000e+00 5.8596e+03 5.8596e+03 2.9929e+02 2.9929e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +2.0000e+00 3.5000e+07 5.8315e+02 5.9477e+03 1.4569e-08 0.0000e+00 1.0000e+00 5.9477e+03 5.9477e+03 3.0379e+02 3.0379e+02 1.0000e-03 1.0000e-03 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 diff --git a/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional_liveOilSRKLBC.txt b/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional_liveOilSRKLBC.txt new file mode 100644 index 00000000000..aad47b3119c --- /dev/null +++ b/src/coreComponents/unitTests/constitutiveTests/testPVT_Compositional_liveOilSRKLBC.txt @@ -0,0 +1,1012 @@ +# column 1 = time +# column 2 = pressure +# column 3 = temperature +# column 4 = density +# column 5 = total compressibility +# columns 6-7 = phase fractions +# columns 8-9 = phase densities +# columns 10-11 = phase mass densities +# columns 12-13 = phase viscosities +# columns 14-22 = oil phase fractions [CO2, N2, C1, C2, C3, C4, C5, C6, C7+] +# columns 23-31 = gas phase fractions [CO2, N2, C1, C2, C3, C4, C5, C6, C7+] +0.0000e+00 3.5000e+07 5.5315e+02 6.3045e+03 1.3265e-08 1.0000e+00 0.0000e+00 6.3045e+03 6.3045e+03 3.2202e+02 3.2202e+02 4.1026e-05 4.1026e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +2.0000e-03 3.4900e+07 5.5315e+02 6.2961e+03 1.3330e-08 1.0000e+00 0.0000e+00 6.2961e+03 6.2961e+03 3.2159e+02 3.2159e+02 4.0960e-05 4.0960e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +4.0000e-03 3.4800e+07 5.5315e+02 6.2877e+03 1.3395e-08 1.0000e+00 0.0000e+00 6.2877e+03 6.2877e+03 3.2116e+02 3.2116e+02 4.0894e-05 4.0894e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +6.0000e-03 3.4700e+07 5.5315e+02 6.2792e+03 1.3461e-08 1.0000e+00 0.0000e+00 6.2792e+03 6.2792e+03 3.2073e+02 3.2073e+02 4.0828e-05 4.0828e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +8.0000e-03 3.4600e+07 5.5315e+02 6.2708e+03 1.3527e-08 1.0000e+00 0.0000e+00 6.2708e+03 6.2708e+03 3.2029e+02 3.2029e+02 4.0762e-05 4.0762e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +1.0000e-02 3.4500e+07 5.5315e+02 6.2623e+03 1.3594e-08 1.0000e+00 0.0000e+00 6.2623e+03 6.2623e+03 3.1986e+02 3.1986e+02 4.0696e-05 4.0696e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +1.2000e-02 3.4400e+07 5.5315e+02 6.2537e+03 1.3661e-08 1.0000e+00 0.0000e+00 6.2537e+03 6.2537e+03 3.1942e+02 3.1942e+02 4.0629e-05 4.0629e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +1.4000e-02 3.4300e+07 5.5315e+02 6.2452e+03 1.3729e-08 1.0000e+00 0.0000e+00 6.2452e+03 6.2452e+03 3.1899e+02 3.1899e+02 4.0563e-05 4.0563e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +1.6000e-02 3.4200e+07 5.5315e+02 6.2366e+03 1.3797e-08 1.0000e+00 0.0000e+00 6.2366e+03 6.2366e+03 3.1855e+02 3.1855e+02 4.0496e-05 4.0496e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +1.8000e-02 3.4100e+07 5.5315e+02 6.2280e+03 1.3866e-08 1.0000e+00 0.0000e+00 6.2280e+03 6.2280e+03 3.1811e+02 3.1811e+02 4.0429e-05 4.0429e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +2.0000e-02 3.4000e+07 5.5315e+02 6.2193e+03 1.3936e-08 1.0000e+00 0.0000e+00 6.2193e+03 6.2193e+03 3.1767e+02 3.1767e+02 4.0362e-05 4.0362e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +2.2000e-02 3.3900e+07 5.5315e+02 6.2106e+03 1.4006e-08 1.0000e+00 0.0000e+00 6.2106e+03 6.2106e+03 3.1722e+02 3.1722e+02 4.0295e-05 4.0295e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +2.4000e-02 3.3800e+07 5.5315e+02 6.2019e+03 1.4077e-08 1.0000e+00 0.0000e+00 6.2019e+03 6.2019e+03 3.1678e+02 3.1678e+02 4.0228e-05 4.0228e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +2.6000e-02 3.3700e+07 5.5315e+02 6.1932e+03 1.4148e-08 1.0000e+00 0.0000e+00 6.1932e+03 6.1932e+03 3.1633e+02 3.1633e+02 4.0160e-05 4.0160e-05 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 +2.8000e-02 3.3600e+07 5.5315e+02 6.1844e+03 1.4220e-08 1.0000e+00 0.0000e+00 6.1844e+03 6.1844e+03 3.1588e+02 3.1588e+02 4.0093e-05 4.0093e-05 9.0000e-03 3.0000e-03 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5.7776e+03 2.9511e+02 2.9511e+02 3.7671e-05 3.7671e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9640e+00 3.3200e+07 5.8315e+02 5.7869e+03 1.5927e-08 0.0000e+00 1.0000e+00 5.7869e+03 5.7869e+03 2.9558e+02 2.9558e+02 3.7738e-05 3.7738e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9660e+00 3.3300e+07 5.8315e+02 5.7961e+03 1.5846e-08 0.0000e+00 1.0000e+00 5.7961e+03 5.7961e+03 2.9605e+02 2.9605e+02 3.7804e-05 3.7804e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9680e+00 3.3400e+07 5.8315e+02 5.8052e+03 1.5766e-08 0.0000e+00 1.0000e+00 5.8052e+03 5.8052e+03 2.9652e+02 2.9652e+02 3.7871e-05 3.7871e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9700e+00 3.3500e+07 5.8315e+02 5.8144e+03 1.5686e-08 0.0000e+00 1.0000e+00 5.8144e+03 5.8144e+03 2.9698e+02 2.9698e+02 3.7937e-05 3.7937e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9720e+00 3.3600e+07 5.8315e+02 5.8235e+03 1.5608e-08 0.0000e+00 1.0000e+00 5.8235e+03 5.8235e+03 2.9745e+02 2.9745e+02 3.8003e-05 3.8003e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9740e+00 3.3700e+07 5.8315e+02 5.8326e+03 1.5530e-08 0.0000e+00 1.0000e+00 5.8326e+03 5.8326e+03 2.9791e+02 2.9791e+02 3.8069e-05 3.8069e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9760e+00 3.3800e+07 5.8315e+02 5.8416e+03 1.5452e-08 0.0000e+00 1.0000e+00 5.8416e+03 5.8416e+03 2.9837e+02 2.9837e+02 3.8134e-05 3.8134e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9780e+00 3.3900e+07 5.8315e+02 5.8506e+03 1.5375e-08 0.0000e+00 1.0000e+00 5.8506e+03 5.8506e+03 2.9883e+02 2.9883e+02 3.8200e-05 3.8200e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9800e+00 3.4000e+07 5.8315e+02 5.8596e+03 1.5299e-08 0.0000e+00 1.0000e+00 5.8596e+03 5.8596e+03 2.9929e+02 2.9929e+02 3.8265e-05 3.8265e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9820e+00 3.4100e+07 5.8315e+02 5.8685e+03 1.5223e-08 0.0000e+00 1.0000e+00 5.8685e+03 5.8685e+03 2.9975e+02 2.9975e+02 3.8331e-05 3.8331e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9840e+00 3.4200e+07 5.8315e+02 5.8775e+03 1.5148e-08 0.0000e+00 1.0000e+00 5.8775e+03 5.8775e+03 3.0020e+02 3.0020e+02 3.8396e-05 3.8396e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9860e+00 3.4300e+07 5.8315e+02 5.8863e+03 1.5074e-08 0.0000e+00 1.0000e+00 5.8863e+03 5.8863e+03 3.0066e+02 3.0066e+02 3.8461e-05 3.8461e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9880e+00 3.4400e+07 5.8315e+02 5.8952e+03 1.5000e-08 0.0000e+00 1.0000e+00 5.8952e+03 5.8952e+03 3.0111e+02 3.0111e+02 3.8526e-05 3.8526e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9900e+00 3.4500e+07 5.8315e+02 5.9040e+03 1.4927e-08 0.0000e+00 1.0000e+00 5.9040e+03 5.9040e+03 3.0156e+02 3.0156e+02 3.8591e-05 3.8591e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9920e+00 3.4600e+07 5.8315e+02 5.9128e+03 1.4854e-08 0.0000e+00 1.0000e+00 5.9128e+03 5.9128e+03 3.0201e+02 3.0201e+02 3.8655e-05 3.8655e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9940e+00 3.4700e+07 5.8315e+02 5.9216e+03 1.4782e-08 0.0000e+00 1.0000e+00 5.9216e+03 5.9216e+03 3.0246e+02 3.0246e+02 3.8720e-05 3.8720e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9960e+00 3.4800e+07 5.8315e+02 5.9303e+03 1.4711e-08 0.0000e+00 1.0000e+00 5.9303e+03 5.9303e+03 3.0291e+02 3.0291e+02 3.8784e-05 3.8784e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +1.9980e+00 3.4900e+07 5.8315e+02 5.9390e+03 1.4640e-08 0.0000e+00 1.0000e+00 5.9390e+03 5.9390e+03 3.0335e+02 3.0335e+02 3.8849e-05 3.8849e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 +2.0000e+00 3.5000e+07 5.8315e+02 5.9477e+03 1.4569e-08 0.0000e+00 1.0000e+00 5.9477e+03 5.9477e+03 3.0379e+02 3.0379e+02 3.8913e-05 3.8913e-05 4.9060e-03 2.5695e-03 7.9973e-01 9.1430e-02 4.7818e-02 1.8822e-02 6.9494e-03 4.3126e-03 2.3463e-02 9.0000e-03 3.0000e-03 5.3470e-01 1.1460e-01 8.7900e-02 4.5600e-02 2.0900e-02 1.5100e-02 1.6920e-01 diff --git a/src/coreComponents/unitTests/wavePropagationTests/testWavePropagation.cpp b/src/coreComponents/unitTests/wavePropagationTests/testWavePropagation.cpp index 4edd9e63d6f..493dc54a71f 100644 --- a/src/coreComponents/unitTests/wavePropagationTests/testWavePropagation.cpp +++ b/src/coreComponents/unitTests/wavePropagationTests/testWavePropagation.cpp @@ -21,8 +21,8 @@ #include "mesh/DomainPartition.hpp" #include "mainInterface/GeosxState.hpp" #include "physicsSolvers/PhysicsSolverManager.hpp" -#include "physicsSolvers/wavePropagation/WaveSolverBase.hpp" -#include "physicsSolvers/wavePropagation/AcousticWaveEquationSEM.hpp" +#include "physicsSolvers/wavePropagation/shared/WaveSolverBase.hpp" +#include "physicsSolvers/wavePropagation/sem/acoustic/secondOrderEqn/isotropic/AcousticWaveEquationSEM.hpp" #include diff --git a/src/coreComponents/unitTests/wavePropagationTests/testWavePropagationAcousticFirstOrder.cpp b/src/coreComponents/unitTests/wavePropagationTests/testWavePropagationAcousticFirstOrder.cpp index 2da611b46e7..0b37a9d382e 100644 --- a/src/coreComponents/unitTests/wavePropagationTests/testWavePropagationAcousticFirstOrder.cpp +++ b/src/coreComponents/unitTests/wavePropagationTests/testWavePropagationAcousticFirstOrder.cpp @@ -21,8 +21,8 @@ #include "mesh/DomainPartition.hpp" #include "mainInterface/GeosxState.hpp" #include "physicsSolvers/PhysicsSolverManager.hpp" -#include "physicsSolvers/wavePropagation/WaveSolverBase.hpp" -#include "physicsSolvers/wavePropagation/AcousticFirstOrderWaveEquationSEM.hpp" +#include "physicsSolvers/wavePropagation/shared/WaveSolverBase.hpp" +#include "physicsSolvers/wavePropagation/sem/acoustic/firstOrderEqn/isotropic/AcousticFirstOrderWaveEquationSEM.hpp" #include diff --git a/src/coreComponents/unitTests/wavePropagationTests/testWavePropagationDAS.cpp b/src/coreComponents/unitTests/wavePropagationTests/testWavePropagationDAS.cpp index 2ea5aa70170..c5c6243d013 100644 --- a/src/coreComponents/unitTests/wavePropagationTests/testWavePropagationDAS.cpp +++ b/src/coreComponents/unitTests/wavePropagationTests/testWavePropagationDAS.cpp @@ -21,8 +21,8 @@ #include "mesh/DomainPartition.hpp" #include "mainInterface/GeosxState.hpp" #include "physicsSolvers/PhysicsSolverManager.hpp" -#include "physicsSolvers/wavePropagation/WaveSolverBase.hpp" -#include "physicsSolvers/wavePropagation/ElasticWaveEquationSEM.hpp" +#include "physicsSolvers/wavePropagation/shared/WaveSolverBase.hpp" +#include "physicsSolvers/wavePropagation/sem/elastic/secondOrderEqn/isotropic/ElasticWaveEquationSEM.hpp" #include diff --git a/src/coreComponents/unitTests/wavePropagationTests/testWavePropagationElasticFirstOrder.cpp b/src/coreComponents/unitTests/wavePropagationTests/testWavePropagationElasticFirstOrder.cpp index f34f65d7a92..b36915027a9 100644 --- a/src/coreComponents/unitTests/wavePropagationTests/testWavePropagationElasticFirstOrder.cpp +++ b/src/coreComponents/unitTests/wavePropagationTests/testWavePropagationElasticFirstOrder.cpp @@ -21,8 +21,8 @@ #include "mesh/DomainPartition.hpp" #include "mainInterface/GeosxState.hpp" #include "physicsSolvers/PhysicsSolverManager.hpp" -#include "physicsSolvers/wavePropagation/WaveSolverBase.hpp" -#include "physicsSolvers/wavePropagation/ElasticFirstOrderWaveEquationSEM.hpp" +#include "physicsSolvers/wavePropagation/shared/WaveSolverBase.hpp" +#include "physicsSolvers/wavePropagation/sem/elastic/firstOrderEqn/isotropic/ElasticFirstOrderWaveEquationSEM.hpp" #include diff --git a/src/coreComponents/unitTests/wavePropagationTests/testWavePropagationQ2.cpp b/src/coreComponents/unitTests/wavePropagationTests/testWavePropagationQ2.cpp index 576be10cd46..3f74d76d860 100644 --- a/src/coreComponents/unitTests/wavePropagationTests/testWavePropagationQ2.cpp +++ b/src/coreComponents/unitTests/wavePropagationTests/testWavePropagationQ2.cpp @@ -21,8 +21,8 @@ #include "mesh/DomainPartition.hpp" #include "mainInterface/GeosxState.hpp" #include "physicsSolvers/PhysicsSolverManager.hpp" -#include "physicsSolvers/wavePropagation/WaveSolverBase.hpp" -#include "physicsSolvers/wavePropagation/AcousticWaveEquationSEM.hpp" +#include "physicsSolvers/wavePropagation/shared/WaveSolverBase.hpp" +#include "physicsSolvers/wavePropagation/sem/acoustic/secondOrderEqn/isotropic/AcousticWaveEquationSEM.hpp" #include diff --git a/src/docs/sphinx/CompleteXMLSchema.rst b/src/docs/sphinx/CompleteXMLSchema.rst index 73517d48697..771b443b132 100644 --- a/src/docs/sphinx/CompleteXMLSchema.rst +++ b/src/docs/sphinx/CompleteXMLSchema.rst @@ -227,18 +227,32 @@ Element: CompositionalMultiphaseWell .. include:: ../../coreComponents/schema/docs/CompositionalMultiphaseWell.rst -.. _XML_CompositonalTwoPhaseFluidPengRobinson: +.. _XML_CompositionalTwoPhaseFluidPengRobinson: -Element: CompositonalTwoPhaseFluidPengRobinson -============================================== -.. include:: ../../coreComponents/schema/docs/CompositonalTwoPhaseFluidPengRobinson.rst +Element: CompositionalTwoPhaseFluidPengRobinson +=============================================== +.. include:: ../../coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinson.rst -.. _XML_CompositonalTwoPhaseFluidSoaveRedlichKwong: +.. _XML_CompositionalTwoPhaseFluidPengRobinsonLBC: -Element: CompositonalTwoPhaseFluidSoaveRedlichKwong -=================================================== -.. include:: ../../coreComponents/schema/docs/CompositonalTwoPhaseFluidSoaveRedlichKwong.rst +Element: CompositionalTwoPhaseFluidPengRobinsonLBC +================================================== +.. include:: ../../coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinsonLBC.rst + + +.. _XML_CompositionalTwoPhaseFluidSoaveRedlichKwong: + +Element: CompositionalTwoPhaseFluidSoaveRedlichKwong +==================================================== +.. include:: ../../coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwong.rst + + +.. _XML_CompositionalTwoPhaseFluidSoaveRedlichKwongLBC: + +Element: CompositionalTwoPhaseFluidSoaveRedlichKwongLBC +======================================================= +.. include:: ../../coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwongLBC.rst .. _XML_CompressibleSinglePhaseFluid: @@ -794,13 +808,6 @@ Element: PeriodicEvent .. include:: ../../coreComponents/schema/docs/PeriodicEvent.rst -.. _XML_PermeabilityBase: - -Element: PermeabilityBase -========================= -.. include:: ../../coreComponents/schema/docs/PermeabilityBase.rst - - .. _XML_PhaseFieldDamageFEM: Element: PhaseFieldDamageFEM @@ -1631,18 +1638,32 @@ Datastructure: CompositionalMultiphaseWell .. include:: ../../coreComponents/schema/docs/CompositionalMultiphaseWell_other.rst -.. _DATASTRUCTURE_CompositonalTwoPhaseFluidPengRobinson: +.. _DATASTRUCTURE_CompositionalTwoPhaseFluidPengRobinson: -Datastructure: CompositonalTwoPhaseFluidPengRobinson -==================================================== -.. include:: ../../coreComponents/schema/docs/CompositonalTwoPhaseFluidPengRobinson_other.rst +Datastructure: CompositionalTwoPhaseFluidPengRobinson +===================================================== +.. include:: ../../coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinson_other.rst -.. _DATASTRUCTURE_CompositonalTwoPhaseFluidSoaveRedlichKwong: +.. _DATASTRUCTURE_CompositionalTwoPhaseFluidPengRobinsonLBC: -Datastructure: CompositonalTwoPhaseFluidSoaveRedlichKwong -========================================================= -.. include:: ../../coreComponents/schema/docs/CompositonalTwoPhaseFluidSoaveRedlichKwong_other.rst +Datastructure: CompositionalTwoPhaseFluidPengRobinsonLBC +======================================================== +.. include:: ../../coreComponents/schema/docs/CompositionalTwoPhaseFluidPengRobinsonLBC_other.rst + + +.. _DATASTRUCTURE_CompositionalTwoPhaseFluidSoaveRedlichKwong: + +Datastructure: CompositionalTwoPhaseFluidSoaveRedlichKwong +========================================================== +.. include:: ../../coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwong_other.rst + + +.. _DATASTRUCTURE_CompositionalTwoPhaseFluidSoaveRedlichKwongLBC: + +Datastructure: CompositionalTwoPhaseFluidSoaveRedlichKwongLBC +============================================================= +.. include:: ../../coreComponents/schema/docs/CompositionalTwoPhaseFluidSoaveRedlichKwongLBC_other.rst .. _DATASTRUCTURE_CompressibleSinglePhaseFluid: @@ -2219,13 +2240,6 @@ Datastructure: PeriodicEvent .. include:: ../../coreComponents/schema/docs/PeriodicEvent_other.rst -.. _DATASTRUCTURE_PermeabilityBase: - -Datastructure: PermeabilityBase -=============================== -.. include:: ../../coreComponents/schema/docs/PermeabilityBase_other.rst - - .. _DATASTRUCTURE_PhaseFieldDamageFEM: Datastructure: PhaseFieldDamageFEM diff --git a/src/docs/sphinx/developerGuide/Contributing/IntegratedTests.rst b/src/docs/sphinx/developerGuide/Contributing/IntegratedTests.rst index e8a97841ac2..93ad45c3576 100644 --- a/src/docs/sphinx/developerGuide/Contributing/IntegratedTests.rst +++ b/src/docs/sphinx/developerGuide/Contributing/IntegratedTests.rst @@ -6,57 +6,112 @@ Integrated Tests About ================================= -*integratedTests* is a submodule of *GEOS* residing at the top level of the directory structure. -It defines a set of tests that will run *GEOS* with various *.xml* files and partitioning schemes using the `Automated Test System `_ (ATS). -For each scenario, test performance is evaluated by comparing output files to baselines recorded in this repository. +The GEOS integrated test system leverages the `Automated Test System `_ (ATS) and `GEOS ATS `_ packages to run various combinations of input files and machine configurations. +The output of these runs are then compared to baseline files and/or analytic solutions to guarantee the accuracy of the code. Structure ================================= -The *integratedTests* repository includes a python package (*integratedTests/scripts/geos_ats_package*) and a directory containing test definitions (*integratedTests/tests/allTests*). -A typical test directory will include an *.ats* file, which defines the behavior of tests or points to child test directories, symbolic links to any required *.xml* files, and a directory containing baseline files. +GEOS integrated tests are defined in the *GEOS/inputFiles* directory, and are organized into folders based on the physical processes being tested. +A test folder can contain any number of *.ats* configuration files, *.xml* input files, and supporting inputs (tables files, meshes, etc.). .. code-block:: sh - - integratedTests/ - - scripts/ - - geos_ats_package - - tests/ - - allTests/ - - main.ats/ - - sedov/ - - baselines/ - - sedov_XX/ - - - - sedov.ats - - sedov.xml + - inputFiles/ + - main.ats/ + - solidMechanics/ + - sedov.ats + - sedov.xml + - etc. + - .integrated_tests.yaml -High level integrated test results are recorded in the GEOS build directory: */path/to/GEOS/build-xyz/integratedTests/TestsResults*. -These include *.log* and *.err* files for each test and a *test_results.html* summary file, which can be inspected in your browser. +Test baselines are stored as *.tar.gz* archive and share the same directory structure as *GEOS/inputFiles*. +During test execution, the *geos_ats* package will fetch and unpack any necessary baselines described in the top-level *.integrated_tests.yaml* configuration file. + + + +How to Run the Tests +================================= + +GEOS CI Pipeline +--------------------------------- + +In most cases, developers will be able to rely on the integrated tests that are run as part of the GEOS CI Pipeline. +These can be triggered if the **ci: run integrated tests** label is selected for a pull request (this can be added from the right-hand panel on PR page). + +To inspect the results of CI tests, select the *Checks* tab from the top of the pull request and then select *run_integrated_tests/build_test_deploy* from the left-hand panel. + + +.. image:: integrated_test_location_pr_a.png + :width: 400px + + +.. image:: integrated_test_location_pr_b.png + :width: 400px + + +This page will show the full output of GEOS build process and the integrated test suite. +At the bottom of this page, the logs will contain a summary of the test results and a list of any ignored/failed tests. + + +.. code-block:: sh + + ======================= + Integrated test results + ======================= + expected: 0 + created: 0 + batched: 0 + filtered: 104 + skipped: 0 + running: 0 + passed: 215 + timedout: 0 (3 ignored) + halted: 0 + lsferror: 0 + failed: 0 + ======================= + Ignored tests + ======================= + pennyShapedToughnessDominated_smoke_01 + pennyShapedViscosityDominated_smoke_01 + pknViscosityDominated_smoke_01 + ======================= + Overall status: PASSED + ======================= + + +The log will provide instructions on where to download the test results and a baseline ID that can be assigned in the *.integrated_tests.yaml* file. + + + +. code-block:: sh + + Download the bundle at https://storage.googleapis.com/geosx/integratedTests/baseline_integratedTests-pr3044-4400-e6359ca.tar.gz + New baseline ID: baseline_integratedTests-pr3044-4400-e6359ca + .. note:: - Baseline files are stored using the git LFS (large file storage) plugin. - If you followed the suggested commands in the quickstart guide, then your environment is likely already setup. + Integrated tests within GEOS CI pipeline are run on a shared machine, and may take up to 30 minutes to complete. It may take some time for the tests to begin if the machine is in use by other developers. - However, if lfs is not yet activated, then the contents of baseline files may look something like this: - 0to100_restart_000000100/rank_0000003.hdf5 - version https://git-lfs.github.com/spec/v1 - oid sha256:09bbe1e92968852cb915b971af35b0bba519fae7cf5934f3abc7b709ea76308c - size 1761208 +Manual Test Runs +--------------------------------- - If this is the case, try running the following commands: ``git lfs install`` and ``git lfs pull``. +Before running the integrated tests manually, we recommend that you define the following variables in your machine's host configuration file: +* `ATS_WORKING_DIR` : The location where tests should be run (default=*GEOS/[build-dir]/integratedTests/workingDir*) +* `ATS_BASELINE_DIR` : The location where test baselines should be stored (default=*GEOS/integratedTests*) +.. note:: + The `ATS_WORKING_DIR` should be located on a file system that is amenable to parallel file IO. -How to Run the Tests -================================= -In most cases, integrated tests processes can be triggered in the GEOS build directory with the following commands: +After building GEOS, the integrated tests can be triggered in the GEOS build directory with the following commands: * `make ats_environment` : Setup the testing environment (Note: this step is run by default for the other make targets). This process will install packages required for testing into the python environment defined in your current host config file. Depending on how you have built GEOS, you may be prompted to manually run the `make pygeosx` command and then re-run this step. * `make ats_run` : Run all of the available tests (see the below note on testing resources). @@ -66,7 +121,7 @@ In most cases, integrated tests processes can be triggered in the GEOS build dir .. note:: - The `make_ats_environment` step will attempt to collect python packages github and pypi, so it should be run from a machine with internet access. + The `make_ats_environment` and `ats_run` steps may require internet access to collect python packages and baseline files. .. note:: @@ -176,7 +231,7 @@ Otherwise, you will need to track down and potentially fix the issue that trigge Test Output -------------------------------- -Output files from the tests will be stored in the TestResults directory (*/path/to/GEOS/build-xyz/integratedTests/TestsResults*) or in a subdirectory next to their corresponding *.xml* file (*integratedTests/tests/allTests/testGroup/testName_xx*). +Output files from the tests will be stored in the specified working directory (linked here: */path/to/GEOS/build-xyz/integratedTests/TestsResults*). Using the serial beam bending test as an example, key output files include: * *beamBending_01.data* : Contains the standard output for all test steps. @@ -395,10 +450,10 @@ They use a Python 3.x syntax, and have a set of ATS-related methods loaded into The root configuration file (*integratedTests/tests/allTests/main.ats*) finds and includes any test definitions in its subdirectories. The remaining configuration files typically add one or more tests with varying partitioning and input xml files to ATS. -The *integratedTests/tests/allTests/sedov/sedov.ats* file shows how to add three groups of tests. +The *inputFiles/solidMechanics/sedov.ats* file shows how to add three groups of tests. This file begins by defining a set of common parameters, which are used later: -.. literalinclude:: ../../../../../integratedTests/tests/allTests/sedov/sedov.ats +.. literalinclude:: ../../../../../inputFiles/solidMechanics/sedov.ats :language: python :start-after: # Integrated Test Docs Begin Parameters :end-before: # Integrated Test Docs End Parameters @@ -406,216 +461,65 @@ This file begins by defining a set of common parameters, which are used later: It then enters over the requested partitioning schemes: -.. literalinclude:: ../../../../../integratedTests/tests/allTests/sedov/sedov.ats +.. literalinclude:: ../../../../../inputFiles/solidMechanics/sedov.ats :language: python :start-after: # Integrated Test Docs Begin Test Loop :end-before: # Integrated Test Docs End Test Loop -and registers a unique test case with the `TestCase` method, which accepts the following arguments: - -* name : The name of the test. The expected convention for this variable is 'testName_N' (N = number of ranks) or 'testName_X_Y_Z' (X, Y, and Z ranks per dimension) -* desc : A brief description of the test -* label : The test label (typically 'auto') -* owner : The point(s) of contact for the test -* independent : A flag indicating whether the test is dependent on another test (typically True) -* steps: A tuple containing the test steps (minimum length = 1) - - -Test steps are run sequentially, and are created with the `geos` method. -If a given test step fails, then it will produce an error and any subsequent steps will be canceled. -This method accepts the following keyword arguments: +and registers a unique test case with the `TestDeck` method, which accepts the following arguments: -* deck : The name of the input xml file. -* np : The number of parallel processes required to run the step. -* ngpu : The number of GPU devices required to run the step. Note: this argument is typically ignored for geos builds/machines that are not configured to use GPU's. In addition, we typically expect that np=ngpu. -* x_partitions : The number of partitions to use along the x-dimension -* y_partitions : The number of partitions to use along the y-dimension -* z_partitions : The number of partitions to use along the z-dimension -* name : The header to use for output file names -* restartcheck_params : (optional) If this value is defined, run a restart check with these parameters (specified as a dictionary). -* curvecheck_params : (optional) If this value is defined, run a curve check with these parameters (specified as a dictionary). -* restart_file : (optional) The name of a restart file to resume from. To use this option, there must be a previous step that produces the selected restart file. -* baseline_pattern : (optional) The regex for the baseline files to use (required if the name of the step differs from the baseline) -* allow_rebaseline : A flag that indicates whether this step can be rebaselined. This is typically only true for the first step in a test case. +* name : The name of the test +* description : A brief description of the test +* partitions : A list of partition schemes to be tested +* restart_step : The cycle number where GEOS should test its restart capability +* check_step : The cycle number where GEOS should evaluate output files +* restartcheck_params : Parameters to forward to the restart check (tolerance, etc.) +* curvecheck_params: Parameters to forward to the curve check (tolerance, etc.) -Note that a given *.ats* file can create any number of tests and link to any number of input xml files. -For any given test step, we expect that at least one restart or curve check be defined. +.. note:: + An *.ats* file can create any number of tests and link to any number of input xml files. + For any given test step, we expect that at least one restart or curve check be defined. Creating a New Test Directory ------------------------------- -To add a new set of tests, create a new folder in the `integratedTests/tests/allTests*` directory. +To add a new set of tests, create a new folder under the `GEOS/inputFiles` directory. This folder needs to include at least one *.ats* file to be included in the integrated tests. Using the sedov example, after creating *sedov.ats* the directory should look like .. code-block:: sh - - integratedTests/tests/allTests/sedov/ - - sedov.ats - - sedov.xml (this file should be a symbolic link to a GEOS input file located somewhere within */path/to/GEOS/inputFiles*) - -At this point you should run the integrated tests (in the build directory run: `make ats_run`). -Assuming that the new *geos* step for your test case was successful, the subsequent *restartcheck* step will fail because the baselines have not yet been created. -At this point the directory should look like this: - -.. code-block:: sh - - - integratedTests/tests/allTests/sedov/ - - sedov/ - - ... - - ... + - inputFiles/solidMechanics - sedov.ats - sedov.xml - - ... -You can then follow the steps in the next section to record the initial baseline files. +These changes will be reflected in the new baselines after triggering the manual rebaseline step. .. _rebaselining-tests: Rebaselining Tests ----------------------------- +===================== Occasionally you may need to add or update baseline files in the repository (possibly due to feature changes in the code). This process is called rebaselining. We suggest the following workflow: -Step 1 -^^^^^^^^^ - -In the GEOS repository, create or checkout a branch with your modifications: - -.. code-block:: sh - - cd /path/to/GEOS - git checkout -b user/feature/newFeature - - -Add your changes, confirm that they produce the expected results, and get approval for a pull request. -If your branch needs to be rebaselined, make sure to indicate this in your pull request with the appropriate Label. - - -Step 2 -^^^^^^^^^ - -Go to the integratedTests submodule, checkout and pull develop, and create a branch with the same name as the one in the main GEOS repository: - -.. code-block:: sh - - cd /path/to/GEOS/integratedTests - git checkout develop - git pull - git checkout -b user/feature/newFeature - - -Step 3 -^^^^^^^^^ - -Go back to your GEOS build directory and run the integrated tests: - -.. code-block:: sh - - # Note: on shared machines, run these commands in an allocation - cd /path/to/GEOS/build-dir/ - make ats_run - - -Inspect the test results that fail and determine which need to be **legitimately** rebaselined. -Arbitrarily changing baselines defeats the purpose of the integrated tests. -In your PR discussion, please identify which tests will change and any unusual behavior. - - -Step 4 -^^^^^^^^^ - -We can then rebaseline the tests. -In most cases, you will want to rebaseline all of the tests marked as **FAILED**. -To do this you can run this command in the build directory: - -.. code-block:: sh - - make ats_rebaseline_failed - - -Otherwise, you can run the following command, and select whether tests should be rebaselined one at a time via a ``[y/n]`` prompt: - -.. code-block:: sh - - make ats_rebaseline - - -Make sure to only answer ``y`` to the tests that you actually want to rebaseline, otherwise correct baselines for already passing tests will still be updated and bloat your pull request and repository size. - - -Step 5 -^^^^^^^^^ - -Confirm that the new baselines are working as expected. -You can do this by cleaning the test directories and re-running the tests: - -.. code-block:: sh - - # Note: on shared machines, run these commands in an allocation - cd /path/to/GEOS/build-dir/ - make ats_clean - make ats_run - - -At this point you should pass all the integratedTests. - - -Step 6 -^^^^^^^^^ - -Clean out unnecessary files and add new ones to the branch: - -.. code-block:: sh - - cd /path/to/GEOS/build-dir/ - make ats_clean - - # Check for new or modified files - cd /path/to/GEOS/integratedTests - git status - - # Add new or modified files - git add file_a file_b ... - git commit -m "Updating baselines" - git push origin user/feature/newFeature - - -Step 6 -^^^^^^^^^ - -If you haven't already done so, create a merge request for your integratedTests branch. -Once you have received approval for your PR and are ready to continue, you can click merge the branch by clicking the button on github. - -You should then checkout the develop branch of integratedTests and pull the new changes. - -.. code-block:: sh - - cd /path/to/GEOS/integratedTests - git checkout develop - git pull - - -You then need to update the integratedTests 'hash' in your associated GEOS branch. - -.. code-block:: sh - - cd /path/to/GEOS/ - git add integratedTests - git commit -m "Updating the integratedTests hash" - git push origin user/feature/newFeature - +#. Step 1. Open a pull request for your branch on github and select the **ci: run integrated tests** and **ci: upload test baselines** labels +#. Step 2. Wait for the tests to finish +#. Step 3. Download and unpack the new baselines from the link provided at the bottom of the test logs +#. Step 4. Inspect the test results using the *test_results.html* file +#. Step 5. Verify that the changes in the baseline files are desired +#. Step 6. Update the baseline ID in the *GEOS/.integrated_tests.yaml* file +#. Step 7. Add a justification for the baseline changes to the *GEOS/BASELINE_NOTES.md* file +#. Step 8. Commit your changes and push the code +#. Step 9. Wait for the CI tests to re-run and verify that the integrated tests step passed -At this point, you will need to wait for the CI/CD tests to run on github. -After they succeed, you can merge your branch into develop using the button on github. diff --git a/src/docs/sphinx/developerGuide/Contributing/integrated_test_location_pr_a.png b/src/docs/sphinx/developerGuide/Contributing/integrated_test_location_pr_a.png new file mode 100644 index 00000000000..410939056bd Binary files /dev/null and b/src/docs/sphinx/developerGuide/Contributing/integrated_test_location_pr_a.png differ diff --git a/src/docs/sphinx/developerGuide/Contributing/integrated_test_location_pr_b.png b/src/docs/sphinx/developerGuide/Contributing/integrated_test_location_pr_b.png new file mode 100644 index 00000000000..2d676c12017 Binary files /dev/null and b/src/docs/sphinx/developerGuide/Contributing/integrated_test_location_pr_b.png differ