<html><head><base href="x-msg://193/"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">You need to run MPI jobs with 'mpirun'. The correct command would be <div><br></div><div>mpirun -np 8 mdrun -s topol.tpr </div><div><br></div><div>(I don't know what the -N 8 does).</div><div><br></div><div>Sander</div><div><div><br></div><div><br><div><div>On 16 Sep 2009, at 18:03 , Jarol E. Molina wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><span class="Apple-style-span" style="border-collapse: separate; font-family: Helvetica; font-size: medium; 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><p style="margin-bottom: 0cm; ">Hi all<br></p><div style="margin-bottom: 0cm; "><br class="webkit-block-placeholder"></div><p style="margin-bottom: 0cm; ">I have a single machine with multilpe processors. I want run mdrun with 8 processors and I use the options</p><div style="margin-bottom: 0cm; "><br class="webkit-block-placeholder"></div><p style="margin-bottom: 0cm; ">% mdrun – np 8 -s toppl.tpr -v -N 8</p><div style="margin-bottom: 0cm; "><br class="webkit-block-placeholder"></div><p style="margin-bottom: 0cm; ">I see in the system monitor that just one procesor is running, if I use</p><div style="margin-bottom: 0cm; "><br class="webkit-block-placeholder"></div><p style="margin-bottom: 0cm; ">%mdrun_mpi -np 8 -s topol.tpr -v -N 8</p><div style="margin-bottom: 0cm; "><br class="webkit-block-placeholder"></div><p style="margin-bottom: 0cm; ">I see the same in the system monitor</p><br><br> Any suggestion would be of great help<br clear="all"><br>--<span class="Apple-converted-space"> </span><br> Jarol E Molina, I.Q., M.S.<br>Estudiante Doctorado en Ingeniería - Sistemas Energéticos<br>Universidad Nacional de Colombia - Sede Medellín<br><a href="mailto:jemolina@unal.edu.co">jemolina@unal.edu.co</a><br><a href="mailto:jemolina@unalmed.edu.co">jemolina@unalmed.edu.co</a><br><br>_______________________________________________<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></div></body></html>