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 -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
