<html>
<head>
<meta content="text/html; charset=ISO-8859-1"
http-equiv="Content-Type">
</head>
<body text="#000000" bgcolor="#FFFFFF">
On 6/01/2012 2:00 AM, Albert wrote:
<blockquote cite="mid:4F05BB29.8000204@gmail.com" type="cite">
<meta http-equiv="content-type" content="text/html;
charset=ISO-8859-1">
<font size="+1"><font face="WenQuanYi WenQuanYi Bitmap Song">Hi:<br>
I am using the following command to submit gromacs md jobs
in cluster:<br>
<br>
mpirun -exe /opt/gromacs/4.5.5/bin/mdrun_mpi_bg -args "-nosum
-dlb yes -v -s nvt.tpr" -mode VN -np 128<br>
<br>
Then I use command tail -f gromacs.out to check the
performance of my jobs and I get the following information:<br>
<br>
vol 0.38! imb F 11% pme/F 0.67 step 11200, will finish Thu
Jan 5 15:32:42 2012<br>
vol 0.36! imb F 11% pme/F 0.66 step 11300, will finish Thu
Jan 5 15:32:42 2012<br>
vol 0.38 imb F 11% pme/F 0.66 step 11400, will finish Thu
Jan 5 15:32:42 2012<br>
vol 0.37! imb F 12% pme/F 0.66 step 11500, will finish Thu
Jan 5 15:32:42 2012<br>
<br>
However, my current time is: <br>
<br>
Thu Jan 5 15:56:17 CET 2012<br>
<br>
As we can see, gromacs claimed that my job would be finished
before my current time. Does anybody have any idea to fix
this?</font></font><br>
</blockquote>
<font size="+1"><font face="WenQuanYi WenQuanYi Bitmap Song"><br>
The time on your cluster node and your login node must be set
differently. Fix that.<br>
<br>
Mark<br>
</font></font>
</body>
</html>