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
......
best,
mao
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