> there are two issue that need to be considered. > > 1) how large are your test jobs? if they are not large enough, timings are > pointless.
about 15 minutes in Intel Quadcore. 66 atoms: Cd_30Te_30O_6. 576 electrons in total. My test may be very particular. If you a have a balanced benchmark, I would like to run it. > 2) it is most likely, that you are still tricked by the > auto-parallelization of intel MKL. the export OMP_NUM_THREADS > will usually only work for the _local_ copy, for some > MPI startup mechanisms not at all. thus your MPI jobs will > be slowed down. I am using only SMP. Sorry, I still haven't a cluster of Quadcores. > > > to make certain that you only like the serial version of > MKL with your MPI executable, please replace -lmkl_em64t > in your make.sys file with > -lmkl_intel_lp64 -lmkl_sequential -lmkl_core Yes, I also tried that. The test runs in 14m2s. Using only -lmkl_em64t it runs in 14m31s. Using serial compilations it ran in 12m20s. Thanks, Eduardo -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080506/ef1744f2/attachment.htm
