[gmx-developers] Link to system BLAS and LAPACK

[Yang Ye]

Hi, David

Regarding the first question that I asked.

Please change in configure. 

if test "with_system_blas" = "yes"; then
  GMX_SYSTEM_BLAS_TRUE=
  GMX_SYSTEM_BLAS_FALSE='#'
else
  GMX_SYSTEM_BLAS_TRUE='#'
  GMX_SYSTEM_BLAS_FALSE=
fi

$ is missing from with_system_blas

with_system_lapack also has this problem.

This made the switches useless.

Regards,
Yang Ye, LEAF

-----Original Message-----
From: gmx-developers-bounces at gromacs.org
[mailto:gmx-developers-bounces at gromacs.org] On Behalf Of David van der Spoel
Sent: Wednesday, April 20, 2005 7:13 PM
To: Discussion list for GROMACS development
Subject: Re: [gmx-developers] Link to system BLAS and LAPACK

On Wed, 2005-04-20 at 18:56 +0800, Yang Ye wrote:
> 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.
you want to set in your environment
setenv LDFLAGS "-lcxml"
then
configure --with-system-blas --with-system-lapack

> 
> Yang Ye
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++


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