[gmx-users] using gromacs in parallel

Madhuri Agashe magashe at CLEMSON.EDU
Thu Nov 13 23:10:01 CET 2003

I want to run Gromacs on a cluster of 46 processors. The Gromacs
installed on these clusters is compiled with MPI.
But when I ran gromacs MD run, we found that it was running only on a
single node and all the other nodes were idle.
The command I ran was the usual
mdrun -s 2.tpr -o 1.trr -o 4.gro -e md01.edr
What modifications does the command need to enable it to run on all
available nodes??
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20031113/613d5999/attachment.html>

More information about the gromacs.org_gmx-users mailing list