Re: [gmx-users] mdrun terminated with errors with gromacs 5.1 in parallel

Hi, The command /app/setups/gromacs-5.1.1/build/bin/gmx mdrun mpi isn't what you used to start the simulation - it couldn't work. Please copy and paste actual things, and do also check out the advice in the install guide about how to get access to installed versions of GROMACS by source GMXRC.

[gmx-users] mdrun terminated with errors with gromacs 5.1 in parallel

Dear Gromacs users, I was trying to do equilibration of a mixed lipid vesicle using gromacs 5.1 in parallel. My pbs script file details for this is the following : /home/lipi/openmpi164/bin/mpirun -np 48 /app/setups/gromacs-5.1.1/build/bin/gmx mdrun mpi -deffnm step6.2_equilibration -rdd 1.8