Soren Enemark wrote:
Dear all,
we are currently trying to set up Gromacs to run in parallel on a 3
dual-core machines with centOS ver. 4 .
But we face the following error message when we try to run mdrun_mpi:
Program mdrun_mpi, VERSION 3.3
Source code file: init.c, line: 69
Fatal error:
run input file topol.tpr was made for 2 nodes,
while mdrun_mpi expected it to be for 1 nodes.
-------------------------------------------------------
Can anybody help us with this?
The error message came after running:
grompp -f md.mdp -c b.gro -p topol.top -v -np 2
followed by:
mpirun -np 2 mdrun_mpi -s -v -np 2
The second -np 2 is only needed for old versions of MPI, but I don't
know if this will help your problem.
Mark
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