[gmx-users] parallel runs problem

Isaiah Arkin arkin at cc.huji.ac.il
Mon Sep 12 23:29:43 CEST 2005

I am encountering what I think are two unrelated problems when trying to run
a large POPE membrane.

1. Whenever I use hbonds constraints, compilation (i.e. grompp) isn't
successful when trying to prepare it for more than 2 cpus.

2. When I run it without any constrains the runs crash after several
thousand steps when using more than 2 CPUs. I does however run fine on just
2 CPUs.

Any ideas?

Thanks Shy

- = - = - = - = - = - = - = -
Prof. Isaiah (Shy) Arkin
The Alexander Silberman
Institute of Life Sciences
Department of Biological Chemistry
The Hebrew University, Givat-Ram
Jerusalem, 91904, Israel
Tel/Fax: +972-(0)2-6584329
Email: arkin at cc.huji.ac.il
web: www.ls.huji.ac.il/~membranelab/

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