[CPMD-list] Re: CPMD and ATLAS libs

[paulsen at troubadix.physik.mu-luebeck.de]

Dear Marino,

I had similar problems with the compilation, but I can not tell you
what is wrong.

I used the Intel Math Kernel Library (MKL) instead, which can be
downloaded from www.intel.com.
It looks to me that the cpmd program has a good performance if
linked with this library.
I am quite curious if anyone knows which of the two libraries
(LAPACK + ATLAS or MKL) has the better performance.

Best regards,

Hauke