[gmx-users] suggestion that mdrun should ensure npme < the number of processes

chris.neale at utoronto.ca chris.neale at utoronto.ca
Wed Aug 17 01:24:45 CEST 2011

Currently, gromacs4.5.4 gives a segfault if one runs mpirun -np 8  
mdrun_mpi -npme 120 with no warning of the source of the problem.

Obviously npme>nnodes is a bad setup, but a check would be nice.

Thank you,

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