[Pw_forum] How to convince QE from local lapack/blas?

Paolo Giannozzi giannozz at democritos.it
Mon Aug 1 13:02:46 CEST 2011

On Aug 1, 2011, at 12:08 , Guntram Schmidt wrote:

> Is it meaningful to have the internal lapack loaded after
> the external one? I mean:
> LAPACK_LIBS    =  -lessl -L/gpfs/usrurz/lib64 -llapack
> /gpfs/home/aasfu/espresso-4.3.2/lapack-3.2/lapack.a
> vs.
> LAPACK_LIBS    =  -lessl -L/gpfs/usrurz/lib64 -llapack

it shouldn't make any difference: lapack routines should be linked
from essl if present there, from /gpfs/usrurz/lib64 if not. Nothing
should be linked from the internal library. The best way to be sure
is "experimental computer science", i.e., to try and see what happens.

Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

More information about the users mailing list