[gmx-users] Problems with parallel run
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
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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