[gmx-users] parallel problem

David van der Spoel spoel at xray.bmc.uu.se
Fri Mar 1 19:39:19 CET 2002

On Fri, 1 Mar 2002, Yuguang Mu wrote:

>When I want to do mdrun on  2 cpu, it turns out as following, and crashs.
>Fatal error: run input file mini.tpr was made for 2 nodes,
>             while mdrun expected it to be for 1 nodes.

start mdrun using mpirun:

mpirun -c 2 mdrun -s mini
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Groeten, David.
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel

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