Software at PARAM

Various software with different versions are available on the Param Himalaya HPC system using spack. Spack is designed to support multiple versions and configurations of software on a wide variety of platforms and environments. Spack is non-destructive: installing a new version does not break existing installations, so many configurations can coexist on the same system.

Spack Useful Commands

Sample SLURM script for OpenMP applications/programs. to use Spack

#!/bin/bash
#SBATCH --nodes=1
#SBATCH -p cpu ## gpu/standard
#SBATCH --exclusive
#SBATCH -t 1:00:00
echo "SLURM_JOBID="$SLURM_JOBID
echo "SLURM_JOB_NODELIST"=$SLURM_JOB_NODELIST
echo "SLURM_NNODES"=$SLURM_NNODES
echo "SLURM_NTASKS"=$SLURM_NTASKS
ulimit -s unlimited
ulimit -c unlimited
export OMP_NUM_THREADS=4 ### Maximum number of threads= Number of physical core
#To load necessary application/compiler through spack
module load spack
export SPACK_ROOT=/home/apps/spack
. $SPACK_ROOT/share/spack/setup-env.sh
spack load intel-mpi@2019.10.317 /6icwzn3
spack load intel-mkl@2020.4.304
spack load intel-oneapi-compilers@2021.4.0
spack load gcc@11.2.0
(time )

Sample SLURM script for MPI applications/programs to use Spack

#!/bin/bash
#SBATCH --nodes=2
#SBATCH -p cpu ## gpu/standard
#SBATCH --exclusive
#SBATCH -t 1:00:00
echo "SLURM_JOBID="$SLURM_JOBID
echo "SLURM_JOB_NODELIST"=$SLURM_JOB_NODELIST
echo "SLURM_NNODES"=$SLURM_NNODES
echo "SLURM_NTASKS"=$SLURM_NTASKS
ulimit -s unlimited
ulimit -c unlimited
#To load necessary application/compiler through spack
module load spack
export SPACK_ROOT=/home/apps/spack
. $SPACK_ROOT/share/spack/setup-env.sh
spack load intel-mpi@2019.10.317 /6icwzn3
spack load intel-mkl@2020.4.304
spack load intel-oneapi-compilers@2021.4.0
spack load gcc@11.2.0
(time mpirun -np $SLURM_NTASKS )