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Hi,<br>
<br>
The benchmarks are infinite runs (nsteps=-1). Try adding the -maxh
option to mdrun to limit the execution time.<br>
<br>
Rossen<br>
<br>
<br>
On 11/23/10 9:48 AM, kapil mathur wrote:
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cite="mid:AANLkTin5_APYLDPP_STRsj1N2OsAZmod0ak1ro2bCQzk@mail.gmail.com"
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Dear All,<br>
<br>
I have some queries regarding the benchmarking result of mdrun-gpu
:<br>
<br>
1. I have run mdrun-gpu with dhfr-impl-1nm.bench on tesla-c1060 ,
can you provide me the details regarding the execution time it
takes as in my case it is running from a very long time (4-5
hours) .<br>
2. Similar things are happening for Gromacs-MPI also.<br>
I am running it as follows :<br>
<br>
GPU:<br>
mdrun-gpu -device
"OpenMM:platform=Cuda,memtest=15,deviceid=0,force-device=no" -s
topol.tpr (dhfr-impl-1nm.bench)<br>
<div id=":179">
<br>
CPU(Cluster):<br>
mpirun -np 4 mdrun -s topol.tpr (dhfr-impl-1nm.bench)<br>
<br>
Thanking you in advance <br clear="all">
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<br>
-- <br>
Kapil Mathur<br>
HPC Solutions Group<br>
C-DAC, Pune<br>
Phone: +91-20-25704309<br>
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<br>
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