20_THOR.conf

#! /bin/bash
shopt -s expand_aliases

STEP0(){
LIST_MACHINE="$LIST_MACHINE THOR"
}

# Sets some vars
# If system version of a package is available use it
# this is unecessary if one want to do it manually
STEP1(){
if [ "$MACHINE" = "THOR" ]; then
#    COMP="GCC"
    COMP="ICC"
 OPENMPI="SYS"
    DOWN="YES"
#    CGNS="SYS"; VERSION_CGNS="3.1.4"
#   METIS="SYS"; VERSION_METIS="5.1.0"
fi
}

# Sets some vars
# And prepare the environment
# Only module load and exports are mandatory
STEP2(){
if [ "$MACHINE" = "THOR" ]; then

    module purge  > /dev/null 2>&1

    [[ "$COMP" = "ICC" ]]    && module load intel-compilers-16
    [[ "$COMP" = "GCC" ]]    && gnu-compilers/4.9.3
                                module load intel-cmkl-16
#    [[ "$COMP" = "ICC" ]] && [[ "$OPENMPI" = "SYS" ]] && module load intel-mpi-4
    [[ "$COMP" = "GCC" ]] && [[ "$OPENMPI" = "SYS" ]] && module load openmpi/1.10.1
    [[ "$COMP" = "ICC" ]] && [[ "$OPENMPI" = "SYS" ]] && module load mpt/2.12
                             [[ "$CGNS" = "SYS" ]] && module load lib/cgns/"$VERSION_CGNS"
                             [[ "$METIS" = "SYS" ]] && module load lib/metis/"$VERSION_METIS"

#    [[ "$COMP" = "ICC" ]] && [[ "$OPENMPI" = "SYS" ]] && BIN_OPENMPI="$I_MPI_ROOT"
    [[ "$COMP" = "GCC" ]] && [[ "$OPENMPI" = "SYS" ]] && BIN_OPENMPI="$MPI_HOME"
    [[ "$COMP" = "ICC" ]] && [[ "$OPENMPI" = "SYS" ]] && BIN_OPENMPI="$MPI_ROOT"
                             [[ "$CGNS" = "SYS" ]] && BIN_CGNS="$CGNS_ROOT"
                             [[ "$METIS" = "SYS" ]] && BIN_METIS="$METIS_ROOT"
 
    EXTRA_CONF="$EXTRA_CONF --with-blas-type=MKL  --with-modules=no --disable-mpi-io"
fi
}

STEP3(){
if [ "$MACHINE" = "THOR" ]; then
#  [[ "$COMP" = "ICC" ]] && FLAGS_OPTIM="$FLAGS_OPTIM -O2 -fPIC" #fail to compile scotch with O3
#  FLAGS_OPTIM="$FLAGS_OPTIM -O0" #fail to compile scotch with O3
    if [ "$COMP" = "ICC" ]; then
      #Parallel C compilator       
       P_CC="icc"
      #Parallel F90 compilator 
       P_FC="ifort"
      #Parallel F77 compilator 
      P_F77="ifort"
      #Parallel C++ compilator 
      P_CXX="icpc"
      FLAGS_OPTIM="$FLAGS_OPTIM -lmpi"
      FLAGS_DEBUG="$FLAGS_DEBUG -lmpi"
    fi
fi
}

STEP9(){
if [ "$MACHINE" = "THOR" ]; then
  echo
  echo -e "\e[31m\e[1m**** Other instructions ****\e[21m\e[0m"
  echo "To use code_saturne on NPROC process through mpi"
  echo "in interactive mode or in batch mode"
  echo "You will have to force code_saturne to use :"
  echo "mpiexec = $BIN_OPENMPI/bin/mpirun"
  echo "mpiexec_n = ' -np '"
  echo "In order to do that, copy $BIN_SATURNE/etc/code_saturne.cfg.template"
  echo "as ~/.code_saturne.cfg"
  echo "or, for older version of code_saturne, cs_user_scripts.py."
  echo
  echo "In interactive mode, you may have to add dplace -c CORE1-CORE2"
  echo "In oder to force code_saturne to compute on those cores."
  echo "To achieve best performance, CORE1+1 should be a multiple of 8."
  echo
  echo "For batch mode, you have to tell code_saturne to use PBS system."
  echo 'batch = "PBS"'
  echo "In order to do that, copy $BIN_SATURNE/etc/code_saturne.cfg.template"
  echo "as ~/.code_saturne.cfg"
  echo "You will have to modify the runcase file to add"
  echo "export OMP_NUM_THREADS=1"
  echo
fi
}

"STEP$1" 2>/dev/null