warp3d_script_linux_hybrid

#!/bin/bash
#
#
#    Run hybrid WARP3D on Linux (MPI + OpenMP) 
#    Built with Intel Fortran (ifort) + MPI system
#    ==============================================
#
#    Last updated: June 25, 2024 rhd
#
#    This bash script runs the "hybrid" version of WARP3D that
#    includes MPI, OpenMP. The Intel MKL libraries
#    are used by hypre, Pardiso, and Cluster Pardiso solvers.
#
echo " "
echo ">> Running MPI + OpenMP (hybrid) version of WARP3D on Linux (64)..."
echo " "
#
if [ $# != "2" ]; then
echo ">> Usage:"; echo " "
echo "  warp3d_script_linux_hybrid  <parms> ( < input ) ( > output )"; echo " "
echo "      Requirements:"
echo " "
echo "        - model must have domain decomposition w/ domains assigned in blocking"
echo "        - or automatic domain assignment in the blocking command"
echo " "
echo "      There are 2 parameters:"
echo " "
echo "      (1) number of MPI processes (ranks) = # domains defined in blocking"
echo " "
echo "      (2) number of OpenMP & MKL threads per rank (these will be set equal)"
echo " "
echo "      Guidelines:"
echo "      -----------"
echo "  "
echo "       1. number of MPI ranks (NP) must = number of domains defined in model input"
echo "          We recommend using NP = number of physical processors available"
echo "          unless runs for testing purposes"
echo " "
echo "       2. number of OpenMP/MKL threads = number of cores to use on each rank"
echo " "
exit 1
fi
#
if [ -z "$WARP3D_HOME" ]; then
   printf "[ERROR]\n"
   printf "... The environment variable WARP3D_HOME is not set.\n"
   printf "... use Bash shell command: export WARP3D_HOME=... install directory...\n"
   printf "Quitting...\n"
   exit 1
fi
#
#           set executable file for MPI + OpenMP. must exist and
#           be executable
#
warp3d_exe="$WARP3D_HOME/run_linux/warp3d.mpi_omp"
#
if [[ ! -f "$WARP3D_HOME/run_linux/warp3d.mpi_omp" ]]
then
    echo " "; echo " "
    echo ">>>> WARP3D executable does not exist:'$warp3d_exe'"
    echo "     No execution possible"
    echo " "; echo " "
    exit
fi
if [[ ! -x "$WARP3D_HOME/run_linux/warp3d.mpi_omp" ]]
then
    echo " "; echo " "
    echo ">>>> WARP3D executable must have execute permissions:'$warp3d_exe'"
    echo "     No execution possible"
    echo " "; echo " "
    exit
fi
#
#
#           set LD_LIBRARY_PATH. Examine the ordering...
#
#           Note: at runtime, WARP3D will use the MKL library
#                 files located in linux_packages/lib included in the
#                 WARP3D distribution.
#                 ** This applies even if you have the
#                 ** Intel compiler system installed on your machine.
#                 We distribute the most current versions of the
#                 the required MKL libraries. These are backwards
#                 compatible with older Intel processors.
#
#                 Intel makes this library freely available
#
#                 The Intel MPI system must be installed
#
export LD_LIBRARY_PATH=$WARP3D_HOME/linux_packages/lib:$LD_LIBRARY_PATH
#
export NUM_WARP3D_RANKS=$1
export OMP_NUM_THREADS=$2
export MKL_NUM_THREADS=$2
#
if [ $1 = "0" -o $2 = "0"  ]; then
 echo " "
 echo "[ERROR]"
 echo " "
 echo "... values for 2 parameters must be > 0 ..."
 echo " "
 echo "Quitting..."; echo " "
 exit 1
fi
#
mpirun --version > ./ztempx
sed -i -e '2d' ./ztempx
mpi2021=`grep "2021" ./ztempx | wc --lines`
/bin/rm ./ztempx
#
#           increase the allowable size of the runtime stack. needed
#           for MPI jobs that also use threads
#
ulimit -s 100000
#
#            set up for Intel MPI 2019 
#
if [ $mpi2021 -eq "1" ]; then
  export MPI_TYPE_MAX=4096
  export I_MPI_PIN_DOMAIN=omp
  export I_MPI_FABRICS=shm:ofi
  export I_MPI_DEBUG=1
else
  echo " "
  echo ">>>  Must have Intel MPI 2021.x or newer"
  echo ">>>  Execution not started "
  exit 1
fi  
#
#       touch core file and make it non-writable in case we dump
#
touch core &> /dev/null
chmod ugo-rwx core
#
#       start WARP3D on each of the MPI processes using message
#       passing based on shared memory
#
echo " Starting WARP3D with MPI + OpenMP hybrid execution..."
echo "    o Number MPI processes:             " $NUM_WARP3D_RANKS
echo "    o Number OpenMP threads each rank:  " $OMP_NUM_THREADS
#
# Let the OS sort out getting MPI daemons started
#
#
mpirun -np $NUM_WARP3D_RANKS $WARP3D_HOME/run_linux/warp3d.mpi_omp
#
# Cleanup the core file (if it was created)
#
/bin/rm -f core
exit