[gmx-users] mdrun_mpi command

Yinghong xieyh at hkusua.hku.hk
Fri Jun 18 03:50:25 CEST 2004


Dear all:
I need to execute Gromacs with MPI version, for example, in common PC with 1 CPU, we use the following command to make MD running.
mdrun -v -s em -e em -o em -c after_em.
What is the corresponding command with "mdrun_mpi"? assuming I use 16 parallel CPUs.
Another question: can I use "mdrun -np 16 -v -s em...." to replace "mdrun_mpi", are both the same?
Thanks !

Regards
Yinghong
HongKong Univ.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20040617/3d0aa793/attachment.html>


More information about the gromacs.org_gmx-users mailing list