Hi Oliver Thanks very much. Sorry about the other two e-mails that was a mistake, I had checked the list after I sent the first one and it wasn't on so I thought it wasn't received. I was reading many of those posts today and did realise that there were problems with mpich-1.2.x but they seemed to be for earlier versions of gromacs and it was on this point that I was unsure. Thanks anyway for providing some insight on the matter.
Cheers Gavin Oliver Stueker wrote: > 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
