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
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