I have the following Bash script for job submission to SLURM on a cluster:
#!/bin/bash
#SBATCH -A 1234
#SBATCH -t 2-00:00
#SBATCH -n 24
module add gromacs
srun resp.com
The #SBATCH lines are SLURM commands:
#SBATCH -A 1234 is the project number (1234),
#SBATCH -t 2-00:00 is the job time,
#SBATCH -n 24 is the number of cores.
module add gromacs loads the Environment Module gromacs (gaussian is a computational quantum-chemistry program).
srun is the SLURM command to launch a job.
resp.com includes commands for gaussian and atom coordinates.
I tried converting the Bash script to the following Perl script, but it didn't work. How can I do this in Perl?
#!/usr/bin/perl
use strict;
use warnings;
use diagnostics;
system ("#SBATCH -A 1234");
system ("#SBATCH -t 2-00:00");
system ("#SBATCH -n 24");
system ("module add xxx");
system ("srun resp.com ");
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