Out of place ATS (#2964)

Implementing out of place ATS, moving testing docs

host-configs/LLNL/quartz-base.cmake

@@ -58,5 +58,12 @@ 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 "")
+
+# Temporary argument for python module change testing
+# set(GEOS_PYTHON_PACKAGES_BRANCH "feature/sherman/outOfPlaceATS" CACHE STRING "" FORCE)
+
 
 include(${CMAKE_CURRENT_LIST_DIR}/../tpls.cmake)

inputFiles/compositionalMultiphaseFlow/benchmarks/SPE10/SPE10.ats

@@ -0,0 +1,19 @@
+import geos_ats
+from geos_ats.test_builder import TestDeck, RestartcheckParameters, generate_geos_tests
+
+restartcheck_params = {}
+restartcheck_params["atol"] = 1.0E-6
+restartcheck_params["rtol"] = 1.0E-5
+
+decks = [
+    TestDeck(
+        name="deadOilSpe10Layers84_85_smoke_2d",
+        description=
+        "Smoke test for SPE10 (2D displacement, 2-phase dead-oil, Brooks-Corey pairwise 2-phase relperm curves)",
+        partitions=((1, 1, 1), (2, 2, 1)),
+        restart_step=49,
+        check_step=89,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params)),
+]
+
+generate_geos_tests(decks)

inputFiles/compositionalMultiphaseFlow/benchmarks/buckleyLeverettProblem/buckleyLeverettProblem.ats

@@ -0,0 +1,19 @@
+import geos_ats
+from geos_ats.test_builder import TestDeck, RestartcheckParameters, generate_geos_tests
+
+restartcheck_params = {}
+restartcheck_params["atol"] = 1.0E-6
+restartcheck_params["rtol"] = 1.0E-5
+
+decks = [
+    TestDeck(
+        name="buckleyLeverett_smoke",
+        description=
+        "Smoke test for a CO2 core flood experiment (1D displacement, 2-phase dead-oil, Brooks-Corey pairwise 2-phase relperm curves)",
+        partitions=((1, 1, 1), (2, 1, 1)),
+        restart_step=9,
+        check_step=13,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params))
+]
+
+generate_geos_tests(decks)

inputFiles/compositionalMultiphaseFlow/benchmarks/isothermalLeakyWell/isothermalLeakyWell.ats

@@ -0,0 +1,19 @@
+import geos_ats
+from geos_ats.test_builder import TestDeck, RestartcheckParameters, generate_geos_tests
+
+restartcheck_params = {}
+restartcheck_params["atol"] = 1.0E-6
+restartcheck_params["rtol"] = 1.0E-5
+
+decks = [
+    TestDeck(
+        name="isothermalLeakyWell_smoke_3d",
+        description=
+        "Smoke test for isothermalLeakyWell (3D displacement, 2-phase dead-oil, hydrostatic initial condition)",
+        partitions=((1, 1, 1), (2, 2, 1)),
+        restart_step=60,
+        check_step=104,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params)),
+]
+
+generate_geos_tests(decks)

inputFiles/compositionalMultiphaseFlow/benchmarks/thermalLeakyWell/thermalLeakyWell.ats

@@ -0,0 +1,19 @@
+import geos_ats
+from geos_ats.test_builder import TestDeck, RestartcheckParameters, generate_geos_tests
+
+restartcheck_params = {}
+restartcheck_params["atol"] = 1.0E-6
+restartcheck_params["rtol"] = 1.0E-5
+
+decks = [
+    TestDeck(
+        name="thermalLeakyWell_smoke_3d",
+        description=
+        "Smoke test for thermalLeakyWell (3D displacement, 2-phase co2-brine, hydrostatic initial condition)",
+        partitions=((1, 1, 1), (2, 2, 1)),
+        restart_step=60,
+        check_step=104,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params)),
+]
+
+generate_geos_tests(decks)

inputFiles/compositionalMultiphaseFlow/c1-ppu/c1_ppu.ats

@@ -0,0 +1,17 @@
+import geos_ats
+from geos_ats.test_builder import TestDeck, RestartcheckParameters, generate_geos_tests
+
+restartcheck_params = {}
+restartcheck_params["atol"] = 1.0E-6
+restartcheck_params["rtol"] = 1.0E-5
+
+decks = [
+    TestDeck(name="grav_seg_c1ppu_hyst",
+             description="Smoke test for C1-PPU (1D displacement, C1-PPU)",
+             partitions=((1, 1, 1), (1, 1, 2)),
+             restart_step=87,
+             check_step=109,
+             restartcheck_params=RestartcheckParameters(atol=1e-4, rtol=1e-3)),
+]
+
+generate_geos_tests(decks)

inputFiles/compositionalMultiphaseFlow/compositionalMultiphaseFlow.ats

@@ -0,0 +1,91 @@
+import geos_ats
+from geos_ats.test_builder import TestDeck, RestartcheckParameters, generate_geos_tests
+
+restartcheck_params = {}
+restartcheck_params["atol"] = 1.0E-6
+restartcheck_params["rtol"] = 1.0E-5
+
+decks = [
+    TestDeck(
+        name="4comp_2ph_1d",
+        description=
+        "Compositional multiphase flow test (1D displacement, 2-phase 4-component)",
+        partitions=((1, 1, 1), (2, 1, 1), (3, 1, 1)),
+        restart_step=6,
+        check_step=11,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params)),
+    TestDeck(
+        name="4comp_2ph_cap_1d",
+        description=
+        "Compositional multiphase flow test (1D displacement, 2-phase 4-component, capillary pressure)",
+        partitions=((1, 1, 1), (2, 1, 1), (3, 1, 1)),
+        restart_step=118,
+        check_step=218,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params)),
+    TestDeck(
+        name="deadoil_3ph_corey_1d",
+        description=
+        "Compositional multiphase flow test (1D displacement, 3-phase dead-oil, Brooks-Corey pairwise 2-phase relperm curves)",
+        partitions=((1, 1, 1), (2, 1, 1), (3, 1, 1)),
+        restart_step=109,
+        check_step=209,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params)),
+    TestDeck(
+        name="co2_hybrid_1d",
+        description=
+        "Compositional co2-brine flow test (1D displacement, hybrid FVM, Brooks-Corey pairwise 2-phase relperm curves)",
+        partitions=((1, 1, 1), (2, 1, 1), (3, 1, 1)),
+        restart_step=5,
+        check_step=10,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params)),
+    TestDeck(
+        name="deadoil_3ph_baker_1d",
+        description=
+        "Compositional multiphase flow test (1D displacement, 3-phase dead-oil, Brooks-Corey-Baker 3-phase relperm curves)",
+        partitions=((1, 1, 1), (2, 1, 1), (3, 1, 1)),
+        restart_step=109,
+        check_step=209,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params)),
+    TestDeck(
+        name="deadoil_3ph_staircase_3d",
+        description=
+        "Compositional multiphase flow test (3D staircase, 3-phase dead-oil, Brooks-Corey-Baker 3-phase relperm curves)",
+        partitions=((1, 1, 1), (2, 2, 2)),
+        restart_step=28,
+        check_step=38,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params)),
+    TestDeck(
+        name="deadoil_3ph_staircase_hybrid_3d",
+        description=
+        "Compositional multiphase flow test (3D staircase, hybrid FVM, 3-phase dead-oil, Brooks-Corey-Baker 3-phase relperm curves)",
+        partitions=((1, 1, 1), (2, 2, 2)),
+        restart_step=28,
+        check_step=38,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params)),
+    TestDeck(
+        name="deadoil_2ph_staircase_gravity_segregation_3d",
+        description=
+        "Compositional multiphase flow test (3D staircase, no-flow BC, 2-phase dead-oil, hysteresis)",
+        partitions=((1, 1, 1), (2, 2, 2)),
+        restart_step=61,
+        check_step=121,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params)),
+    TestDeck(
+        name="co2_flux_3d",
+        description=
+        "Compositional co2-brine flow test (3D co2 injection, 2-phase co2-brine, Brooks-Corey 2-phase relperm curves)",
+        partitions=((1, 1, 1), (2, 2, 2), (3, 3, 3)),
+        restart_step=10,
+        check_step=20,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params)),
+    TestDeck(
+        name="deadoil_3ph_staircase_obl_3d",
+        description=
+        "Smoke test for a staircase deadoil test (3D displacement, 3-phase dead-oil, OBL)",
+        partitions=((1, 1, 1), (2, 2, 2)),
+        restart_step=28,
+        check_step=38,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params)),
+]
+
+generate_geos_tests(decks)

inputFiles/compositionalMultiphaseWell/benchmarks/Class09Pb3/Class09Pb3.ats

@@ -0,0 +1,24 @@
+import os
+import geos_ats
+from geos_ats.test_builder import TestDeck, RestartcheckParameters, generate_geos_tests
+
+restartcheck_params = {}
+restartcheck_params["atol"] = 1.0E-6
+restartcheck_params["rtol"] = 1.0E-5
+
+# exclude any derivative fields from restart checks
+# example field name: dGlobalComponentFraction_dPressure
+#restartcheck_params["exclude"] = [r"d[A-Z]\w+_d[A-Z]\w+"]
+
+decks = [
+    TestDeck(
+        name="class09_pb3_smoke_3d",
+        description=
+        "Smoke test for the Johansen model (3D displacement, structured mesh, CO2-brine)",
+        partitions=[(1, 1, 1), (2, 2, 2)],
+        restart_step=5,
+        check_step=10,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params)),
+]
+
+generate_geos_tests(decks)

inputFiles/compositionalMultiphaseWell/benchmarks/Egg/compositionalMultiphaseWell_Egg.ats

@@ -0,0 +1,26 @@
+import os
+import geos_ats
+from geos_ats.test_builder import TestDeck, RestartcheckParameters, generate_geos_tests
+
+restartcheck_params = {}
+restartcheck_params["atol"] = 1.0E-6
+restartcheck_params["rtol"] = 1.0E-5
+
+# exclude any derivative fields from restart checks
+# example field name: dGlobalComponentFraction_dPressure
+#restartcheck_params["exclude"] = [r"d[A-Z]\w+_d[A-Z]\w+"]
+
+decks = [
+    TestDeck(
+        name="deadOilEgg_smoke_3d",
+        description=
+        "Smoke test for the Egg model (3D displacement, structured mesh, 2-phase dead-oil, many wells)",
+        partitions=[
+            (1, 1, 1),
+        ],
+        restart_step=20,
+        check_step=35,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params)),
+]
+
+generate_geos_tests(decks)

inputFiles/compositionalMultiphaseWell/compositionalMultiphaseWell.ats

@@ -0,0 +1,88 @@
+import os
+import geos_ats
+from geos_ats.test_builder import TestDeck, RestartcheckParameters, generate_geos_tests
+
+restartcheck_params = {}
+restartcheck_params["atol"] = 1.0E-6
+restartcheck_params["rtol"] = 1.0E-5
+
+# exclude any derivative fields from restart checks
+# example field name: dGlobalComponentFraction_dPressure
+#restartcheck_params["exclude"] = [r"d[A-Z]\w+_d[A-Z]\w+"]
+
+decks = [
+    TestDeck(
+        name="compositional_multiphase_wells_1d",
+        description=
+        "Compositional multiphase well test (1D displacement, 2-phase 4-component, 2 wells)",
+        partitions=[(1, 1, 1), (2, 1, 1)],
+        restart_step=5,
+        check_step=10,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params)),
+    TestDeck(
+        name="compositional_multiphase_wells_2d",
+        description=
+        "Compositional multiphase flow test (2D displacement, 2-phase 4-component, 3 wells)",
+        partitions=[(1, 1, 1), (2, 2, 1)],
+        restart_step=3,
+        check_step=7,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params)),
+    TestDeck(
+        name="dead_oil_wells_2d",
+        description=
+        "Dead oil well test (2D displacement, 3-phase dead-oil, 3 wells)",
+        partitions=[(1, 1, 1), (2, 2, 1)],
+        restart_step=50,
+        check_step=100,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params)),
+    TestDeck(
+        name="dead_oil_wells_hybrid_2d",
+        description=
+        "Dead oil well test (2D displacement, hybrid FVM, 3-phase dead-oil, 3 wells)",
+        partitions=[(1, 1, 1), (2, 2, 1)],
+        restart_step=50,
+        check_step=100,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params)),
+    TestDeck(
+        name="black_oil_wells_saturated_3d",
+        description=
+        "Black oil well test (3D displacement, 3-phase black-oil, 2 wells)",
+        partitions=[(1, 1, 1), (2, 2, 1)],
+        restart_step=13,
+        check_step=25,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params)),
+    TestDeck(
+        name="black_oil_wells_unsaturated_3d",
+        description=
+        "Black oil well test (3D displacement, hybrid FVM, 3-phase black-oil, 2 wells)",
+        partitions=[(1, 1, 1), (2, 2, 1)],
+        restart_step=8,
+        check_step=12,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params)),
+    TestDeck(
+        name="staircase_co2_wells_3d",
+        description=
+        "CO2 well test (3D staircase, 2-phase 2-component, 2 wells)",
+        partitions=[(1, 1, 1), (2, 2, 2)],
+        restart_step=3,
+        check_step=5,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params)),
+    TestDeck(
+        name="staircase_co2_wells_hybrid_3d",
+        description=
+        "CO2 well test (3D staircase, unstructured mesh, hybrid FVM, 2-phase 2-component, 2 wells)",
+        partitions=[(1, 1, 1), (2, 2, 2)],
+        restart_step=0,
+        check_step=17,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params)),
+    TestDeck(
+        name="black_oil_wells_saturated_3d_stone2",
+        description=
+        "Black oil well test using stone2 interp (3D displacement, hybrid FVM, 3-phase black-oil, 2 wells)",
+        partitions=[(1, 1, 1), (2, 2, 1)],
+        restart_step=12,
+        check_step=25,
+        restartcheck_params=RestartcheckParameters(**restartcheck_params))
+]
+
+generate_geos_tests(decks)