[gmx-users] Problems with parallel run

Oliver Stueker ostueker at gmail.com
Wed Mar 3 20:06:31 CET 2010

This email (as well as the two others) have found their way to the
list. No need to post several times!

On Wed, Mar 3, 2010 at 12:47, Gavin Melaugh <gmelaugh01 at qub.ac.uk> wrote:
> Hi all
> My apologies for the lack of  detail in my previous e-mail. I am trying
> to run gromacs-4.0.7 for a system that I am studying. I have ran several
> simulations on serial on my own computer that have to date worked fine.
> I am now however trying to run the simulations on our local cluster in
> parallel using mpich-1.2.7 and experiencing some difficulty. Please note

If you would have searched the mailing list for posts with terms like
"parallel problem",
you probably would have found several posts that report people having
serious problems with mpich-1.2.x and the advise to use mpich2,
openMPI or LAM/MPI instead.

Check with the admins of your Cluster which alternative MPI lib is
available or have them install one of the suggested.


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