[gmx-users] MPI runing problem

lpgomes at fiocruz.br lpgomes at fiocruz.br
Mon Aug 9 19:38:39 CEST 2004

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

Best Regards,
Luciano P Gomes
University of Brasilia
Instituto de Química

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