Hi sun grid engine users, I am new to scripting.
I want to run GROMACS MD simulations in sun grid engine through qsub command. #!/bin/bash #$ -S /bin/bash #$ -cwd #$ -N smp1 #$ -l h_vmem=1G gmx mdrun -ntmpi 1 -ntomp 8 -v -deffnm eq The above contents were in submit.sh file. When I gave, qsub submit.sh, I got the following error /opt/gridengine/default/spool/compute-0-31/job_scripts/4423509: line 8: gmx: command not found What am I supposed to do? I intend to do single processor serial job. How to rectify it? Thanks, Subashini.K
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