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 <[email protected]> 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 -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
