[gmx-users] running GROMACS-MPI on Rocks cluster- strange results

kala kalabharath at gmail.com
Fri Mar 6 09:34:48 CET 2009


i have ran a particular MD of protein in water for 100ps (50,000 steps) in a
variety of combinations

1. on a single processor( non-mpi) intel core2duo 2.2Ghz 2 GB ram time taken
: 1hr 30 min
2. 2 processors on a single machine (MPI) similar specs time taken : 35 min
3 .2 processors on different machines (mpi) similar specs time taken : 1hr 5
min
4 .5 processors on 5 different machines (mpi) similar specs time taken: 38
min
5.10 processors on 5 different machines(mpi) similar specs time taken: 45
min

OS
for 1- open discovery ( fedora 9)
for 2-5 Rocks cluster 5.1

network connectivity Gigabit on cat6
Are the above specified time intervals normal or i am making big big
mistakes.
comments are invited.
kala bharath
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090306/65dae853/attachment.html>


More information about the gromacs.org_gmx-users mailing list