[gmx-users] problem of paralleled running

Justin A. Lemkul jalemkul at vt.edu
Thu Oct 28 04:21:18 CEST 2010

fancy2012 wrote:
> Dear GMX users,
> I have a problem when I run gromacs-4.5.1 on a cluster, I can only do 
> paralleled running using 1 node, which is 8-cpu, but when I use more 
> nodes, it will abort abnormally. Could someone help me figure it out? 
> Thanks very much!

To get a faster resolution, you should provide substantially more detail, including:

1. Commands given to install Gromacs
2. Description of hardware, compilers, etc.
3. Command issued that causes the problem
4. The actual error message (from Gromacs, OS, MPI, etc.), if any


> All the best,
> fancy


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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