<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><div>On Jun 17, 2010, at 3:42 PM, 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; ">Dear Carsten<span class="Apple-converted-space"> </span><br><br>the command which i give is<span class="Apple-converted-space"> </span><br><br>mpiexec -l -np 4 /usr/local/gromacs/bin/mdrun_mpi -s topol.tpr<br><br>with this command the same error come which is<span class="Apple-converted-space"> </span><br><br>Can not open file:<br>3: topol.tpr<br>3: -------------------------------------------------------<br></div></span></blockquote>Maybe "." (the current directory) is not in your path. Either try</div><div><div><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; "><br></div><div class="hmmessage" style="font-size: 10pt; font-family: Verdana; ">mpiexec -l -np 4 /usr/local/gromacs/bin/mdrun_mpi -s ./topol.tpr</div><div class="hmmessage" style="font-size: 10pt; font-family: Verdana; "><br></div><div class="hmmessage" style="font-size: 10pt; font-family: Verdana; "><span class="Apple-style-span" style="font-family: Helvetica; font-size: medium; ">or give the full path name:</span></div><div class="hmmessage" style="font-size: 10pt; font-family: Verdana; "><span class="Apple-style-span" style="font-family: Helvetica; font-size: medium; "><br></span></div><div class="hmmessage" style="font-size: 10pt; font-family: Verdana; "><font class="Apple-style-span" face="Helvetica"><span class="Apple-style-span" style="font-size: medium;"><span class="Apple-style-span" style="font-family: Verdana; font-size: 13px; ">mpiexec -l -np 4 /usr/local/gromacs/bin/mdrun_mpi -s /absolute/path/to/topol.tpr</span></span></font></div><div class="hmmessage" style="font-size: 10pt; font-family: Verdana; "><font class="Apple-style-span" face="Helvetica"><span class="Apple-style-span" style="font-size: medium;"><span class="Apple-style-span" style="font-family: Verdana; font-size: 13px; "><br></span></span></font></div><div class="hmmessage" style="font-size: 10pt; font-family: Verdana; "><font class="Apple-style-span" face="Helvetica"><span class="Apple-style-span" style="font-size: medium;"><span class="Apple-style-span" style="font-family: Verdana; font-size: 13px; ">Carsten</span></span></font></div><div class="hmmessage" style="font-size: 10pt; font-family: Verdana; "><font class="Apple-style-span" face="Helvetica"><span class="Apple-style-span" style="font-size: medium;"><span class="Apple-style-span" style="font-family: Verdana; font-size: 13px; "><br></span></span></font></div><div class="hmmessage" style="font-size: 10pt; font-family: Verdana; "><font class="Apple-style-span" face="Helvetica"><span class="Apple-style-span" style="font-size: medium;"><span class="Apple-style-span" style="font-family: Verdana; font-size: 13px; "><br></span></span></font></div></span></div></div><br></body></html>