[gmx-users] MPI runing problem

[David van der Spoel]

On Mon, 9 Aug 2004 lpgomes at fiocruz.br wrote:

> Hi All,
> 
> does anybody know how to fix this problem?
> 
> Back Off! I just backed up min.log to ./#min.log.2#
> Getting Loaded...
> Reading file min.tpr, VERSION 3.1.4 (double precision)
> Note: tpx file_version 24, software version 31
> Note: nLincsIter not in run input file, setting it to 1
> Fatal error: run input file min.tpr was made for 3 nodes,
>              while mdrun_mpi_d expected it to be for 1 nodes.
> 
> This is caused when I tried to run the double precision
> mdrun-mpi version as above.
> mdrun_mpi_d -v -s md -c out -e md -g md -np 3
> 

mpirun -np 3 mdrun


> Best Regards,
> Luciano P Gomes
> University of Brasilia
> Instituto de Química
> 
> 
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
>