[gmx-users] fftw vs cmkl

Dallas B. Warren Dallas.Warren at pharm.monash.edu.au
Thu Dec 10 04:27:44 CET 2009

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
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