[gmx-users] Problems with parallel run

[Oliver Stueker]

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.



Oliver