For NCEP regtests, update to spack-stack 1.6, add option for gnu compiler and add Hercules

model/src/wminitmd.F90

@@ -1273,6 +1273,12 @@ SUBROUTINE WMINIT ( IDSI, IDSO, IDSS, IDST, IDSE, IFNAME, &
  IF (WORDS(6) .EQ. 'T') THEN
  CALL NEXTLN ( COMSTR , MDSI , MDSE2 )
  READ (MDSI,*,END=2001,ERR=2002)(ODAT(I,1),I=5*(8-1)+1,5*8)
+ ELSE 
+ ODAT(5*(8-1)+1,1)=0
+ ODAT(5*(8-1)+2,1)=0
+ ODAT(5*(8-1)+3,1)=0
+ ODAT(5*(8-1)+4,1)=0
+ ODAT(5*8,1)=0
  END IF
  ELSE
  READ (MDSI,*,END=2001,ERR=2002)(ODAT(I,1),I=5*(J-1)+1,5*J)

regtests/bin/matrix_cmake_ncep

@@ -22,59 +22,109 @@ usage ()
 {
  cat 2>&1 << EOF
 
- Usage: $myname model_dir
+ Usage: $myname model_dir compiler 
  Required:
  model_dir : path to model dir of WW3 source
+ Optional: 
+ compiler : intel (default) or gnu 
 EOF
 }
 
-
 # Get required arguments
  if [ ! $# = 0 ]
  then
  main_dir="$1" ; shift
+ if [ ! $# = 0 ]
+ then
+ compiler="$1"; shift 
+ else 
+ compiler='intel'
+ fi 
  else
  usage
  exit 1
  fi
+
+
 
 # Convert main_dir to absolute path
  main_dir="`cd $main_dir 1>/dev/null 2>&1 && pwd`"
 
 # Module Versions from spack-stack that are common for all platforms
  modnetcdfc='netcdf-c/4.9.2'
- modnetcdff='netcdf-fortran/4.6.0'
+ modnetcdff='netcdf-fortran/4.6.1'
  modjasper='jasper/2.0.32'
  modzlib='zlib/1.2.13'
  modpng='libpng/1.6.37'
  modhdf5='hdf5/1.14.0'
  modbacio='bacio/2.4.1'
  modg2='g2/3.4.5'
  modw3emc='w3emc/2.10.0'
- modesmf='esmf/8.4.2'
+ modesmf='esmf/8.5.0'
  modscotch='scotch/7.0.4'
 
 # Set batchq queue, choose modules and other custom variables to fit system and
 # to define headers etc (default to original version if empty)
  ishera=`hostname | grep hfe`
  isorion=`hostname | grep Orion`
+ ishercules=`hostname | grep hercules`
  if [ $ishera ]
  then
- # If no other h, assuming Hera
  batchq='slurm'
- spackstackpath='/scratch1/NCEPDEV/nems/role.epic/spack-stack/spack-stack-1.5.0/envs/unified-env-noavx512/install/modulefiles/Core'
- modcomp='stack-intel/2021.5.0'
- modmpi='stack-intel-oneapi-mpi/2021.5.1'
- metispath='/scratch1/NCEPDEV/climate/Matthew.Masarik/waves/opt/spack-stack/1.5.0/parmetis-4.0.3/install'
- modcmake='cmake/3.23.1'
+ if [ $compiler = "intel" ]
+ then 
+ spackstackpath='/scratch1/NCEPDEV/nems/role.epic/spack-stack/spack-stack-1.6.0/envs/unified-env-rocky8/install/modulefiles/Core'
+ modcomp='stack-intel/2021.5.0'
+ modmpi='stack-intel-oneapi-mpi/2021.5.1'
+ metispath='/scratch1/NCEPDEV/climate/Matthew.Masarik/waves/opt/hera/intel/spack-stack/1.6.0/parmetis-4.0.3/install'
+ modcmake='cmake/3.23.1'
+ elif [ $compiler = "gnu" ]
+ then 
+ spackstackpath='/scratch1/NCEPDEV/nems/role.epic/spack-stack/spack-stack-1.6.0/envs/unified-env-rocky8/install/modulefiles/Core'
+ modcomp='stack-gcc/9.2.0'
+ modmpi='stack-openmpi/4.1.5'
+ metispath='/scratch1/NCEPDEV/climate/Matthew.Masarik/waves/opt/hera/gnu/spack-stack/1.6.0/parmetis-4.0.3/install'
+ modcmake='cmake/3.23.1'
+ else 
+ echo "Compiler $compiler not supported on hera" 
+ exit 1 
+ fi 
  elif [ $isorion ]
  then
+ if [ $compiler = "intel" ]
+ then
+ batchq='slurm'
+ spackstackpath='/work/noaa/epic/role-epic/spack-stack/orion/spack-stack-1.6.0/envs/unified-env/install/modulefiles/Core'
+ modcomp='stack-intel/2022.0.2'
+ modmpi='stack-intel-oneapi-mpi/2021.5.1'
+ metispath='/work/noaa/marine/Matthew.Masarik/waves/opt/orion/intel/spack-stack/1.6.0/parmetis-4.0.3/install'
+ modcmake='cmake/3.23.1'
+ else
+ echo "Compiler $compiler not supported on orion" 
+ exit 1
+ fi 
+ elif [ $ishercules ] 
+ then 
  batchq='slurm'
- spackstackpath='/work/noaa/epic/role-epic/spack-stack/orion/spack-stack-1.5.0/envs/unified-env/install/modulefiles/Core'
- modcomp='stack-intel/2022.0.2'
- modmpi='stack-intel-oneapi-mpi/2021.5.1'
- metispath='/work/noaa/marine/Matthew.Masarik/waves/opt/spack-stack/1.5.0/parmetis-4.0.3/install'
- modcmake='cmake/3.23.1'
+ if [ $compiler = "intel" ]
+ then
+ spackstackpath='/work/noaa/epic/role-epic/spack-stack/hercules/spack-stack-1.6.0/envs/unified-env/install/modulefiles/Core'
+ modcomp='stack-intel/2021.9.0'
+ modmpi='stack-intel-oneapi-mpi/2021.9.0'
+ metispath='/work/noaa/marine/Matthew.Masarik/waves/opt/hercules/intel/spack-stack/1.6.0/parmetis-4.0.3/install'
+ modcmake='cmake/3.23.1'
+ elif [ $compiler = "gnu" ]
+ then 
+ spackstackpath='/work/noaa/epic/role-epic/spack-stack/hercules/spack-stack-1.6.0/envs/unified-env/install/modulefiles/Core'
+ spackstackpath2='/work/noaa/epic/role-epic/spack-stack/hercules/modulefiles'
+ modcomp='stack-gcc/12.2.0'
+ modmpi='stack-mvapich2/2.3.7'
+ metispath='/work/noaa/marine/Matthew.Masarik/waves/opt/hercules/gnu/spack-stack/1.6.0/parmetis-4.0.3/install'
+ modcmake='cmake/3.23.1'
+ else
+ echo "Compiler $compiler not supported on hercules" 
+ exit 1
+ fi
  else
  batchq=
  fi
@@ -105,10 +155,19 @@ EOF
  echo '#SBATCH --exclusive' >> matrix.head
  echo ' ' >> matrix.head
  echo 'ulimit -s unlimited' >> matrix.head
- echo 'ulimit -c 0' >> matrix.head
- echo 'export KMP_STACKSIZE=2G' >> matrix.head
- echo 'export FI_OFI_RXM_BUFFER_SIZE=128000' >> matrix.head
- echo 'export FI_OFI_RXM_RX_SIZE=64000' >> matrix.head
+ elif [ $batchq = "slurm" ] && [ $ishercules ]
+ then
+ echo "#SBATCH -n ${np}" >> matrix.head
+ echo "##SBATCH --cpus-per-task=${nth}" >> matrix.head
+ echo '#SBATCH -q batch' >> matrix.head
+ echo '#SBATCH -t 08:00:00' >> matrix.head
+ echo '#SBATCH -A marine-cpu' >> matrix.head
+ echo '#SBATCH -J ww3_regtest' >> matrix.head
+ echo '#SBATCH -o matrix.out' >> matrix.head
+ echo '#SBATCH -p hercules' >> matrix.head
+ echo '#SBATCH --exclusive' >> matrix.head
+ echo ' ' >> matrix.head
+ echo 'ulimit -s unlimited' >> matrix.head
  elif [ $batchq = "slurm" ]
  then
  echo "#SBATCH -n ${np}" >> matrix.head
@@ -133,13 +192,10 @@ EOF
 
 # Netcdf, Parmetis and SCOTCH modules & variables
  echo " module purge" >> matrix.head
- if [ ! -z $basemodcomp ]; then
- echo " module load $basemodcomp" >> matrix.head
- fi
- if [ ! -z $basemodmpi ]; then
- echo " module load $basemodmpi" >> matrix.head
- fi
- echo " module use $spackstackpath" >> matrix.head
+ echo " module use $spackstackpath" >> matrix.head
+ if [ ! -z $spackstackpath2 ]; then
+ echo " module use $spackstackpath2" >> matrix.head
+ fi 
  echo " module load $modcomp" >> matrix.head
  echo " module load $modmpi" >> matrix.head
  echo " module load $modcmake" >> matrix.head