[gmx-users] parallel problem

David van der Spoel spoel at xray.bmc.uu.se
Fri Mar 1 19:54:13 CET 2002

On Fri, 1 Mar 2002, Yuguang Mu wrote:

>I do use
> mpirun -c 2 mdrun -np 2  -s mini
>But the problem is the same :
>Back Off! I just backed up mini.log to #mini.log#
>Reading file mini.tpr, VERSION 3.0.5 (single precision)
>Reading file mini.tpr, VERSION 3.0.5 (single precision)
>Fatal error: run input file mini.tpr was made for 2 nodes,
>             while mdrun expected it to be for 1 nodes.
>[0] MPI Abort by user Aborting program !
>[0] Aborting program!
>    p4_error: latest msg from perror: No such file or directory
Hm, apparently you are using MPICH. I don't know whether we have a MPICH 
expert in the audience?

We've had some reports about MPICH before, but hitherto it has ended 
mostly in people moving to LAM...

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

More information about the gromacs.org_gmx-users mailing list