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<font size="+1"><font face="WenQuanYi WenQuanYi Bitmap Song">Hello:<br>
I submit MD jobs to cluster with the following scrips:<br>
<br>
<br>
# @ job_name = gromacs_job<br>
# @ class = kdm-large<br>
# @ account_no = G07-13 <br>
# @ error = gromacs.out<br>
# @ output = gromacs.out<br>
# @ environment = COPY_ALL<br>
# @ wall_clock_limit = 2:00:00<br>
# @ notification = error<br>
# @ notify_user = <a class="moz-txt-link-abbreviated" href="mailto:albert@icm.edu.pl">albert@icm.edu.pl</a><br>
# @ job_type = bluegene<br>
# @ bg_size = 128<br>
# @ queue<br>
mpirun -exe /opt/gromacs/4.5.4/bin/mdrun_mpi -args "-nosum -dlb
yes -s nvt" -mode VN -np 128<br>
<br>
<br>
and it generate the following files;<br>
<br>
gromacs.out<br>
md.log <br>
traj.trr<br>
ener.edr<br>
<br>
I check the tail of each file and cannot find the performance of
my job, such as: how long it will take to be finished. Does
anybody have any idea to fix this?<br>
<br>
THX<br>
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