> Dear gmx users: > > I am trying to run REMD with two replicas (for testing). I used > grompp -f -c -p -o replica0 to get replica0.tpr > grompp -f -c -p -o replica1 to get replica1.tpr > > then used > mdrun_mpi -np 2 -multi -replex 500 -reseed -1 -s replica -deffnm replica > -v -N 2 > to run it.
mdrun doesn't take '-N 2' but I'm not sure this is the problem. Otherwise, looks fine to me. > I got an error message "Segmentation fault" from my script output, but > no error message in both log files. When I tried to run individual tpr > file, it worked fine. > > Could someone can comment why I got "Segmentation fault"? Thank you for > your help! Your MPI setup might require you use a command like "mpirun -N 2 mdrun_mpi ..." to make it work - the segfault might be a gromacs-MPI interaction problem. If you can run an MPI process from the command line you may get more helpful feedback. Mark _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
