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Dear Carsten<br><br>I give the path for the topol.tpr file now the error is change which is<br><br>Fatal error:<br>3: Too many LINCS warnings (4254)<br>3: If you know what you are doing you can adjust the lincs warning threshold in your mdp file<br>3: or set the environment variable GMX_MAXCONSTRWARN to -1,<br>3: but normally it is better to fix the problem<br>3: -------------------------------------------------------<br>3:<br>3: "You're About to Hurt Somebody" (Jazzy Jeff)<br>3:<br>3: Halting program mdrun_mpi<br>3:<br>3: gcq#98: "You're About to Hurt Somebody" (Jazzy Jeff)<br>3:<br>3: [0] MPI Abort by user Aborting program !<br>3: [0] Aborting program!<br>3: p4_error: latest msg from perror: No such file or directory<br><br><br><div>Abdul Wadood, <br>Research Scholar, <br>Dr.Panjwani Center for Molecular Medicine and <br>Drug Research, <br>International Center for Chemical and <br>Biological Science, <br>University of Karachi, Karachi-75720, Pakistan. <br>Email:wadoodbiochemist@hotmail.com <br></div><br><br><br><br><hr id="stopSpelling">Subject: Re: Parallel instalation: gmx-users Digest, Vol 74, Issue 76<br>From: ckutzne@gwdg.de<br>Date: Thu, 17 Jun 2010 15:46:40 +0200<br>CC: wadoodbiochemist@hotmail.com<br>To: gmx-users@gromacs.org<br><br>
<div><div>On Jun 17, 2010, at 3:42 PM, abdul wadood wrote:</div><br class="ecxApple-interchange-newline"><blockquote><span class="ecxApple-style-span" style="border-collapse: separate; font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; font-size: medium;"><div class="ecxhmmessage" style="font-size: 10pt; font-family: Verdana;">Dear Carsten<span class="ecxApple-converted-space"> </span><br><br>the command which i give is<span class="ecxApple-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="ecxApple-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="ecxApple-style-span" style="border-collapse: separate; font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; font-size: medium;"><div class="ecxhmmessage" style="font-size: 10pt; font-family: Verdana;"><br></div><div class="ecxhmmessage" style="font-size: 10pt; font-family: Verdana;">mpiexec -l -np 4 /usr/local/gromacs/bin/mdrun_mpi -s ./topol.tpr</div><div class="ecxhmmessage" style="font-size: 10pt; font-family: Verdana;"><br></div><div class="ecxhmmessage" style="font-size: 10pt; font-family: Verdana;"><span class="ecxApple-style-span" style="font-family: Helvetica; font-size: medium;">or give the full path name:</span></div><div class="ecxhmmessage" style="font-size: 10pt; font-family: Verdana;"><span class="ecxApple-style-span" style="font-family: Helvetica; font-size: medium;"><br></span></div><div class="ecxhmmessage" style="font-size: 10pt; font-family: Verdana;"><font class="ecxApple-style-span" face="Helvetica"><span class="ecxApple-style-span" style="font-size: medium;"><span class="ecxApple-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="ecxhmmessage" style="font-size: 10pt; font-family: Verdana;"><font class="ecxApple-style-span" face="Helvetica"><span class="ecxApple-style-span" style="font-size: medium;"><span class="ecxApple-style-span" style="font-family: Verdana; font-size: 13px;"><br></span></span></font></div><div class="ecxhmmessage" style="font-size: 10pt; font-family: Verdana;"><font class="ecxApple-style-span" face="Helvetica"><span class="ecxApple-style-span" style="font-size: medium;"><span class="ecxApple-style-span" style="font-family: Verdana; font-size: 13px;">Carsten</span></span></font></div><div class="ecxhmmessage" style="font-size: 10pt; font-family: Verdana;"><font class="ecxApple-style-span" face="Helvetica"><span class="ecxApple-style-span" style="font-size: medium;"><span class="ecxApple-style-span" style="font-family: Verdana; font-size: 13px;"><br></span></span></font></div><div class="ecxhmmessage" style="font-size: 10pt; font-family: Verdana;"><font class="ecxApple-style-span" face="Helvetica"><span class="ecxApple-style-span" style="font-size: medium;"><span class="ecxApple-style-span" style="font-family: Verdana; font-size: 13px;"><br></span></span></font></div></span></div></div><br> <br /><hr />The New Busy is not the old busy. Search, chat and e-mail from your inbox. <a href='http://www.windowslive.com/campaign/thenewbusy?ocid=PID28326::T:WLMTAGL:ON:WL:en-US:WM_HMP:042010_3' target='_new'>Get started.</a></body>
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