validate.sh

set -ex

POT3D_HOME=$PWD
TEST="validation"

cp ${POT3D_HOME}/testsuite/${TEST}/input/* ${POT3D_HOME}/testsuite/${TEST}/run/
cd ${POT3D_HOME}/testsuite/${TEST}/run

# Check if conda is active
if [[ -z "$CONDA_PREFIX" ]]; then
  echo -e "${RED}Error: No Conda environment is active. Please activate a conda env with MPI installed.${NC}"
  exit 1
fi

# Try locating mpiexec
if [[ -x "${CONDA_PREFIX}/bin/mpiexec" ]]; then
  MPIEXEC="${CONDA_PREFIX}/bin/mpiexec"
elif command -v mpiexec &> /dev/null; then
  MPIEXEC=$(command -v mpiexec)
else
  echo -e "${RED}Error: mpiexec not found. Please install MPI (OpenMPI or MPICH) via Conda or system package manager.${NC}"
  exit 1
fi

# detect MPI implementation
MPI_VERSION=$($MPIEXEC --version 2>&1)
if echo "$MPI_VERSION" | grep -q "Open MPI"; then
  MPI_TYPE="openmpi"
elif echo "$MPI_VERSION" | grep -q "MPICH"; then
  MPI_TYPE="mpich"
else
  # we don't yet support other MPI implementations
  # like intel MPI etc.0
  echo -e "${RED}Unknown MPI implementation!${NC}"
  exit 1
fi

for np in 1 2 4; do
  rm -rf pot3d.log pot3d.out timing.out

  # set MPIEXEC_ARGS based on MPI type and number of ranks
  # `--oversubscribe` isn't needed with Open MPI when running
  # with 1 or 2 ranks
  if [[ "$MPI_TYPE" == "openmpi" && $np -gt 2 ]]; then
    MPIEXEC_ARGS="--oversubscribe"
  else
    MPIEXEC_ARGS=""
  fi

  echo "Running POT3D with $np MPI rank..."

  ${MPIEXEC} -np ${np} ${MPIEXEC_ARGS} ${POT3D_HOME}/bin/pot3d 1> pot3d.log 2>pot3d.err
  echo "Done!"

  runtime=($(tail -n 5 timing.out | head -n 1))
  echo "Wall clock time:                ${runtime[6]} seconds"
  echo " "

  #Validate run:
  ${POT3D_HOME}/scripts/pot3d_validation.sh pot3d.out ${POT3D_HOME}/testsuite/${TEST}/validation/pot3d.out
  if [ $? -ne 0 ]; then
    echo "Validation failed for $np MPI rank. Exiting..."
    exit 1
  fi
  echo ""
done

echo "Done!"