<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Hi,<div><br></div><div>you either have to add the directory where mdrun_mpi resides to your</div><div>path or you have to give mpirun the full path name of mdrun_mpi.</div><div><br></div><div>You can add the Gromacs executables to your path by the command</div><div><br></div><div>source /path/to/your/installed/gromacs/bin/GMXRC</div><div><br></div><div>Or use</div><div><br></div><div>mpirun -np 12 /path/to/your/installed/gromacs/bin/mdrun_mpi -s topol.tpr ...</div><div><br></div><div>Carsten</div><div><br></div><div><br></div><div><br></div><div><div><div>On Jun 14, 2010, at 7:20 AM, abdul wadood wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><span class="Apple-style-span" style="border-collapse: separate; font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; font-size: medium; "><div class="hmmessage" style="font-size: 10pt; font-family: Verdana; ">Hello,<br><br>I am new user of gromacs. I have installed the gromacs and enable the mpi but when I run the command<br><br>"mpirun -np 12 mdrun_mpi -s topol.tpr -o test.trr -x test.xtc -c confout.gro -e test.edr -g test.log"<br><br>The error come that<span class="Apple-converted-space"> </span><br><br>"Program mdrun_mpi either does not exist, is not<br>executable, or is an erroneous argument to mpirun."<br><br>I have search the problem on mailing list but I do not found satisfactory answer to solve my problem. If you kindly help me in this respect I will be very thankful to you.<br><br>Your help will be highly appreciated by our research group.<br><br>Many regards<br><br><div>Abdul Wadood,<span class="Apple-converted-space"> </span><br>Research Scholar,<span class="Apple-converted-space"> </span><br>Dr.Panjwani Center for Molecular Medicine and<span class="Apple-converted-space"> </span><br>Drug Research,<span class="Apple-converted-space"> </span><br>International Center for Chemical and<span class="Apple-converted-space"> </span><br>Biological Science,<span class="Apple-converted-space"> </span><br>University of Karachi, Karachi-75720, Pakistan.<span class="Apple-converted-space"> </span><br>Email:<a href="mailto:wadoodbiochemist@hotmail.com">wadoodbiochemist@hotmail.com</a><span class="Apple-converted-space"> </span><br></div><br><br><br><hr>Hotmail has tools for the New Busy. Search, chat and e-mail from your inbox.<span class="Apple-converted-space"> </span><a href="http://www.windowslive.com/campaign/thenewbusy?ocid=PID28326::T:WLMTAGL:ON:WL:en-US:WM_HMP:042010_1" target="_new">Learn more.</a><span class="Apple-converted-space"> </span>--<span class="Apple-converted-space"> </span><br>gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br><a href="http://lists.gromacs.org/mailman/listinfo/gmx-users">http://lists.gromacs.org/mailman/listinfo/gmx-users</a><br>Please search the archive at<span class="Apple-converted-space"> </span><a href="http://www.gromacs.org/search">http://www.gromacs.org/search</a><span class="Apple-converted-space"> </span>before posting!<br>Please don't post (un)subscribe requests to the list. Use the<span class="Apple-converted-space"> </span><br>www interface or send it to<span class="Apple-converted-space"> </span><a href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a>.<br>Can't post? Read<span class="Apple-converted-space"> </span><a href="http://www.gromacs.org/mailing_lists/users.php">http://www.gromacs.org/mailing_lists/users.php</a></div></span></blockquote></div><br><div>
<span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><br class="Apple-interchange-newline">--</div><div>Dr. Carsten Kutzner</div><div>Max Planck Institute for Biophysical Chemistry</div><div>Theoretical and Computational Biophysics</div><div>Am Fassberg 11, 37077 Goettingen, Germany</div><div>Tel. +49-551-2012313, Fax: +49-551-2012302</div><div><a href="http://www.mpibpc.mpg.de/home/grubmueller/ihp/ckutzne">http://www.mpibpc.mpg.de/home/grubmueller/ihp/ckutzne</a></div><div><br></div></div><br class="Apple-interchange-newline"></span><br class="Apple-interchange-newline"></span>
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