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
I should add, that it as we have lam/mpi installed and working, since a check as
in:
mpirun -np 2 ls
does not give errors.
Also lamboot -v seems to exit fine:
[EMAIL PROTECTED] TEST]$ lamboot -v
LAM 7.0.6/MPI 2 C++/ROMIO - Indiana University
n-1<5535> ssi:boot:base:linear: booting n0 (bicluster.bioing.polimi.it)
.....cut....
n-1<5535> ssi:boot:base:linear: finished
[EMAIL PROTECTED] TEST]$
Hope some of you guys out there can help us out.
All the best,
Soren Enemark
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