[gmx-users] mdrun failed

Albert mailmd2011 at gmail.com
Thu May 15 17:40:02 CEST 2014

Hello Mark:

thanks a lot for reply.

The MPI works fine in my machine when I run another problem.

How can I check whether gromacs cmake picked up the MPI that I expected? 
I've already specified with options:


thx a lot


On 05/15/2014 05:35 PM, Mark Abraham wrote:
> First, check your install of MPI works on a simple test program. Then,
> check that GROMACS cmake picked up the MPI you expected, and that that's
> really the one you're using at run time.
> Mark

More information about the gromacs.org_gmx-users mailing list