Posted by Valera on October 21, 2006 at 16:21:28:
In Reply to: use of intel mkl blas with intel compiler on x86_64 opteron posted by Garold Murdachaew on October 20, 2006 at 19:07:17:
'Out of box' solution for using MKL, Atlas, or GotoBLAS libraries in molcas will be available in coming release of molcas (MOLCAS-7). We are testing these configurations right now, and indeed, for some modules the speed up is about 20-30%.
However, if you want to try by yourself (this is not an one evening work, but still) - I can give you some advices:
1. figure out what kind of BLAS/LAPACK routines are missing in a vendor library
2. for MKL: in addition to libmkl_em64t itself, you have to include other MKL lib files.
3. for parallel installation you also have to remove ga/linalg directory
Valera.