[gmx-users] How to use gmx_mpi?

[ZHANG Cheng]

Dear Sir or Madam,


I use this in my job.sh file:




#!/bin/bash -l
#$ -S /bin/bash
#$ -l h_rt=01:00:0
#$ -l mem=2G
#$ -l tmpfs=15G
#$ -N REMD
#$ -pe mpi 12
#$ -cwd 


module load gcc-libs
module load compilers/intel/2018/update3
module load mpi/intel/2018/update3/intel
module load gromacs/2019.3/intel-2018


gmx_mpi mdrun -np 12 mdrun_mpi -v -multidir equil[0123]





But I was told "gmx_mpi: command not found". So how to correct it? Thank you!


Yours sincerely
Cheng