Dear all,
Recently, we installed the gromacs4.0 with openmpi parallel program. When we
started a simulation with np=1, the simulation was finished normally. But when
the same tpr file was run with np=n (n>1), I obtained the following error
message:
MPI_ABORT invoked on rank 0 in communicator MPI_COMM_WORLD with errorcode -1
My used command is & mpirun -np 32 -hostfile mpd.hosts mdrun_mpi -s large.tpr
-o large.trr -c large.gro -g large.log
The content of the mpd.hosts file is following,
node1 slots=8
.
.
.
nodex slots=8
It must be noted that my tpr file is produced via the gromacs 3.3.3. Is this
related to the error?
I don't know what to do now and how can I overcome this. Could you help me?
Thanks in advance!
Hui Sun
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