[gmx-users] pgcc problems in compile fftw

[Mu Yuguang (Dr)]

Thanks David
Now because the mpi of the system is compiled by pgcc, so we have no
choice .
The problem is my work is that
I have succeeded in compile fftw
When I configure gromacs 3.2
It cannot find fftw lib, although it can find fftw include file.
I have set the library by
export LDFLAGS=-L/home/user/siap/ygmu/software/fftw-2.1.5/lib

And the error message is:

checking for dfftw.h... yes
checking for main in -ldfftw... no
configure: error: Can't find a library to match the dfftw header

-----Original Message-----
From: gmx-users-bounces at gromacs.org
[mailto:gmx-users-bounces at gromacs.org] On Behalf Of David
Sent: Saturday, October 29, 2005 10:40 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] pgcc problems in compile fftw

On Sat, 2005-10-29 at 21:56 +0800, Mu Yuguang (Dr) wrote:
> Dear all,
> I cannot compile fftw mpi version using pgi compiler for linux X86_64.
> Do you have some suggestions?
This is not what you may want to hear, but use gcc. It generates faster
code (with flag -arch=opteron -tune=opteron) and works out of the box.

> Yuguang
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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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