[gmx-users] parallel runs problem
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
- = - = - = - = - = - = - = -
Prof. Isaiah (Shy) Arkin
The Alexander Silberman
Institute of Life Sciences
Department of Biological Chemistry
The Hebrew University, Givat-Ram
Jerusalem, 91904, Israel
Email: arkin at cc.huji.ac.il
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