Just wondering if anyone has done a comparison of GROMACS complied using fftw versus cmkl?
SC tech suggested that cmkl might be a bit faster, but can't find any mention of someone making a comparison between them anywhere, searching users list and web for "cmkl" (is there may be another term used for it?). Are running a test myself to see, so will report back with that once it is done. Catch ya, Dr Dallas Warren Pharmacy and Pharmaceutical Sciences Monash University A polar bear is a Cartesian bear that has undergone a polar transformation
<<winmail.dat>>
-- gmx-users mailing list [email protected] http://lists.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
