<div>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.</div>
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<div>thanks.</div>
<div> </div>
<div>mao</div>
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<div class="gmail_quote">On Mon, Mar 9, 2009 at 11:56 AM, Mark Abraham <span dir="ltr"><<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">
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<div class="h5">Xiang Mao wrote:<br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">Hello, everyone:<br> 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.<br>
Step= 0, Dmax= 1.0e-02 nm, Epot= -2.08462e+06 Fmax= 1.93968e+04, atom= 82024<br>Step= 0, Dmax= 1.0e-02 nm, Epot= -2.08462e+06 Fmax= 1.93968e+04, atom= 82024<br>Step= 1, Dmax= 1.0e-02 nm, Epot= -2.20863e+06 Fmax= 8.61112e+03, atom= 61852<br>
Step= 1, Dmax= 1.0e-02 nm, Epot= -2.20863e+06 Fmax= 8.61112e+03, atom= 61852<br>Step= 2, Dmax= 1.2e-02 nm, Epot= -2.32124e+06 Fmax= 5.29846e+03, atom= 149884<br>Step= 2, Dmax= 1.2e-02 nm, Epot= -2.32124e+06 Fmax= 5.29846e+03, atom= 149884<br>
......<br></blockquote><br></div></div>I suspect you're running two single-processor calculations, but since you haven't told us your command line, we can only guess.<br><br>Mark<br>_______________________________________________<br>
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