<div>I got something like this in log file</div>
<div> </div>
<div>Host:XXX pid:5504 nodeid :0 nnodes:1</div>
<div> </div>
<div>and I think I compiled mdrun_mpi using --enable-mpi. I am wondeirng if I should use lam_mpi instead of MPICH2?</div>
<div> </div>
<div>thanks.<br><br></div>
<div class="gmail_quote">On Mon, Mar 9, 2009 at 11:03 PM, Diego Enry Gomes <span dir="ltr"><<a href="mailto:diego.enry@gmail.com">diego.enry@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">
<div style="WORD-WRAP: break-word">
<div class="im">
<div>On Mar 9, 2009, at 5:12 PM, Mark Abraham wrote:</div></div>
<div>
<div>
<div class="im"><br>
<blockquote type="cite">
<div>Xiang Mao wrote:<br>
<blockquote type="cite">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.<br></blockquote><br>OK that might be working right. Now you need to look in the log file for an indication of whether the run has two component processes or one - right at the top, usually.<br>
<br>Mark<br></div></blockquote></div>
<div>
<div><br></div>
<div>Hi Xiang, maybe the solution is simple and you just didn't use the "--enable-mpi" flag in the ./configure step. </div>
<div>That explains the duplicate steps.</div>
<div><br></div>
<div>Try a quick "ldd" test to check if MPI compilation worked.</div>
<div><br></div>
<div>% which mdrun_mpi (find where mdrun was installed, mine is at /usr/local/gmx4/bin/)</div>
<div>% ldd /usr/local/gmx4/bin/mdrun_mpi </div>
<div><br></div>
<div>You should see "libmpi.so.0" in the list of libraries, if not, go back to the ./configure step.</div>
<div><br></div>
<div><br></div></div>
<div>Diego</div>
<div><br></div><font color="#888888">
<div>--</div>
<div>=========================================</div>
<div>Diego Enry B Gomes | PhD Student @ UFRJ - Brazil</div>
<div>/tmp/home/@ Pacific Northwest National Laboratory</div>
<div>
<div>Richland, WA. +1 (509) 372.6363 </div>
<div><a href="mailto:diegoenry.gomes@pnl.gov" target="_blank">diegoenry.gomes@pnl.gov</a></div>
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