My PC has a intel core2 cpu. I compiled gromacs under cygwin, and using MPICH2. After mpiboot, I use mpirun -n 2 mdrun_mpi .... to run EM, MD.
thanks. mao On Mon, Mar 9, 2009 at 11:56 AM, Mark Abraham <[email protected]>wrote: > Xiang Mao wrote: > >> Hello, everyone: >> I have a question about mdrun_mpi, when I tried to run mdrun_mpi >> with two processors, the log file show everystep twice like the following, I >> am just wondering if that is normal. Thanks for help. >> Step= 0, Dmax= 1.0e-02 nm, Epot= -2.08462e+06 Fmax= 1.93968e+04, atom= >> 82024 >> Step= 0, Dmax= 1.0e-02 nm, Epot= -2.08462e+06 Fmax= 1.93968e+04, atom= >> 82024 >> Step= 1, Dmax= 1.0e-02 nm, Epot= -2.20863e+06 Fmax= 8.61112e+03, atom= >> 61852 >> Step= 1, Dmax= 1.0e-02 nm, Epot= -2.20863e+06 Fmax= 8.61112e+03, atom= >> 61852 >> Step= 2, Dmax= 1.2e-02 nm, Epot= -2.32124e+06 Fmax= 5.29846e+03, atom= >> 149884 >> Step= 2, Dmax= 1.2e-02 nm, Epot= -2.32124e+06 Fmax= 5.29846e+03, atom= >> 149884 >> ...... >> > > I suspect you're running two single-processor calculations, but since you > haven't told us your command line, we can only guess. > > Mark > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the www interface > or send it to [email protected]. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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