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[adarsh]

@punithm.iisc

#!/bin/bash
#PBS -N testjyo
#PBS -l nodes=2:ppn=48
#PBS -l walltime=72:00:00
#PBS -q qreg_3day_small
#PBS -l mem=6gb
#PBS -e error_reunion.log
#PBS -o output_reunion.log

cd $PBS_O_WORKDIR

module load libs/gmt-4.5.18
module load codes/citcoms-3.3.1
module load compilers/openmpi/4.1.1

mpirun -np 96 --oversubscribe CitcomSFull reunion_E15_CT200.input

Please try this script:

#!/bin/bash
#PBS -N testjyo
#PBS -l select=2:ncpus=48:mpiprocs=48:mem=6gb
#PBS -l walltime=72:00:00
#PBS -q qreg_3day_small
#PBS -e error_reunion.log
#PBS -o output_reunion.log
cd $PBS_O_WORKDIR
module load libs/gmt-4.5.18
module load codes/citcoms-3.3.1
module load compilers/openmpi/4.1.1
mpirun -np 96 --hostfile  $PBS_NODEFILE  --oversubscribe CitcomSFull reunion_E15_CT200.input

Also, go through this link Openmpi support - #7 by adarsh and check other openmpi topics in the forum.