[gmx-users] Gromacs on Pathscale/Infiniband?
susanc at helix.nih.gov
Fri Jul 14 22:54:31 CEST 2006
Thanks to all the people who gave me suggestions on how to build Gromacs
under Pathscale/Infiniband. I did succeed in building it, the trick was
which was mentioned on the Pathscale site http://www.pathscale.com/
for an older version of Gromacs.
I'm locked into the Pathscale compilers at this point because our
nodes have Pathscale
IB, drivers, and compilers, and reconfiguring them is not an option
I'll definitely try the suggestion about disabling Fortran next. At
this point I do
have a working version of Gromacs on IB, so it's a little lower
priority. My current
build on the Infiniband/Opteron nodes gives pretty great performance.
I ran the d.dppc benchmark on several types of nodes including the
if anyone is interested the results are at
Consistent superscaling (up to 10processors with Infiniband);
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