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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