Hi,
I tried gromacs 4.5.4 in these days and last version I used is 4.0.5.
I found when I add --enable-threads in installation.
I can use mdrun -nc 12 to run 12 CPUs together within one machine.
It also amazing me when I type "top" to check the job, only one process
in computer and the CPU utility is 1200%!!
But I tried to execute it on two machines, then the second machines
didn't work.
I don't need mdrun_mpi any more because mdrun -nc is faster the mdrun_mpi.
That make me confused.
Am I right to use mdrun -nc to run parallel job in this way?
Does the result is the same as which is employed by mdrun_mpi?
(Exactly I never use mdrun_mpi more than one machine since the ethernet
between machines is very slow here.)
If mdrun -nc is available.
Do we have another commend support CPUs more than one in the same machine.
Sincerely yours,
Hsin-Lin
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