On Apr 21, 2009, at 5:04 PM, sheerychen wrote:
Hello, every body. I have a question about parallel running of
mdrun_mpi. I doubt that sometimes the parallel running of mdrun_mpi
can not utilize the domain decomposition.
This is the case when I use the batch work in the computer cluster
which install the MPICH2. In the case, I use commond like ''mpirun -
np 8 mdrun_mpi -deffnm *** -v'' . (The command ''mpirun -np 3 /usr/
bin/mdrun_mpi -deffnm *** -v'' doesn't work) .The working didn't
show any information about domain decomposition. And the computing
rate is rather slow, which is only a little bit higher than
So what exactly is the output of mdrun? What is the content of the
md.log file?
Carsten
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