The fftw used during compilation was FFTW 3.1.2 compiled using the GNU compilers.
From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Yawar JQ Sent: Sunday, November 09, 2008 3:31 PM To: gmx-users@gromacs.org Subject: [gmx-users] Gromacs 4 Scaling Benchmarks... I was wondering if anyone could comment on these benchmark results for the d.dppc benchmark? Nodes Cutoff (ns/day) PME (ns/day) 4 1.331 0.797 8 2.564 1.497 16 4.5 1.92 32 8.308 0.575 64 13.5 0.275 128 20.093 - 192 21.6 - It seems to scale relatively well up to 32-64 nodes without PME. This seems slightly better than the benchmark results for Gromacs 3 on www.gromacs.org <http://www.gromacs.org/> . Can someone comment on the magnitude of the performance hit and lack of scaling with PME is worrying me. For the PME runs, I set rlist,rvdw,rouloumb=1.2 and the rest set to the defaults. I can try it with some other settings, larger spacing for the grid, but I'm not sure how much more that would help. Is there a more standardized system I should use for testing PME scaling? This is with GNU compilers and parallelization with OpenMPI 1.2. I'm not sure what we're using for the FFTW The compute nodes are Dell m600 blades w/ 16GB of RAM and dual quad core Intel Xeon 3GHz processors. I believe it's all ethernet interconnects. Thanks, YQ
_______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
