[gmx-developers] Link to system BLAS and LAPACK

[Yang Ye]

Hi, 

When I was compiling CVS code on Alpha Linux, I found that the lapack code
included in Gromacs was not compiled properly (with some constants in
ssterf.c, safmin and safmax). I found the configure flag --with-system-blas
and --with-system-lapack, but setting them did not work:

In the Makefile,

GMX_SYSTEM_BLAS_FALSE = 
GMX_SYSTEM_BLAS_TRUE = #

does NOT change between NOT setting --with and setting --with.

First question: Is this --with working now?

Second, Alpha has a Math library, CXML, which contains LAPACK and BLAS
implementations. According to the manual, I shall do compiling as

cc -migrate program.c /usr/lib/libdxml.a -lfor -lm

Can I do this when linking gmxlib? Thanks.

Yang Ye