[gmx-users] question about parallel runing of gromacs

[Xiang Mao]

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090309/403c17ac/attachment.html>