<div>Thank you all. I was saving my previous trajectory in a different name file. Now everything is working perfectly. Thanks again.</div>
<div> </div>
<div>Yi<br><br></div>
<div class="gmail_quote">On Fri, Nov 13, 2009 at 1:34 PM, Amit Choubey <span dir="ltr"><<a href="mailto:kgp.amit@gmail.com">kgp.amit@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">in your previous run you might be saving the trajectory in some other *.trr file . Try appending in that.
<div><br></div>
<div><font color="#888888">amit<br><br></font>
<div class="gmail_quote">
<div>
<div></div>
<div class="h5">On Fri, Nov 13, 2009 at 9:11 AM, Yi Peng <span dir="ltr"><<a href="mailto:muhuohuohuo@gmail.com" target="_blank">muhuohuohuo@gmail.com</a>></span> wrote:<br></div></div>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">
<div>
<div></div>
<div class="h5">
<div>Hi, everyone,</div>
<div> </div>
<div>I was using Gromacs-4.0.3 to run my MD calculations parallell on our High performance clusters for a large system which was crashed because I run out the time limits. So I tried to resume my calculations by the script as follows:</div>
<div> </div>
<div>#PBS -N gromacs</div>
<div>#PBS -l walltime=250:00:00<br>#PBS -l nodes=8:ppn=2:quad<br>#PBS -j oe<br>echo Using nodes<br>cat $PBS_NODEFILE<br>module load mpich<br>module load intel-f<br>module load gromacs-4.0.3<br>cd $PBS_O_WORKDIR<br>cd /home/yxp17/impd/impd1/wt_wo<br>
/usr/local/bin/mpiexec mdrun -multi 16 -s md.tpr -cpi state.cpt -append</div>
<div> </div>
<div> </div>
<div>But it will stop and show the message as follows</div>
<div> </div>
<div>"Whatever Happened to Pong ?" (F. Black)</div>
<div>Halting program mdrun</div>
<div>gcq#180: "Whatever Happened to Pong ?" (F. Black)</div>
<div>[0] MPI Abort by user Aborting program !<br>[0] Aborting program!<br>p0_12952: p4_error: : -1<br> p4_error: latest msg from perror: No such file or directory</div>
<div>-------------------------------------------------------<br>Program mdrun, VERSION 4.0.3<br>Source code file: gmxfio.c, line: 736</div>
<div>Can not open file:<br>traj.trr<br>-------------------------------------------------------<br></div>
<div>How can I solve the problem? Thanks a lot</div>
<div> </div><font color="#888888">
<div>Yi<br></div></font><br></div></div>--
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