Re: [gmx-users] Problems with parallel run

2010-03-03 Thread Gavin Melaugh
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

Re: [gmx-users] Problems with parallel run

2010-03-03 Thread 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 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.

[gmx-users] Problems with parallel run

2010-03-03 Thread Gavin Melaugh
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 par