Graham Kettlewell wrote:
-----Original Message-----
From: [email protected] [mailto:[email protected]] On
Behalf Of Justin A. Lemkul
Sent: Tuesday, 30 June 2009 1:57 PM
To: Gromacs Users' List
Subject: Re: [gmx-users] Installation with non standard location of fftw3
Graham Kettlewell wrote:
Hi Justin,
Thanks for your quick reply. It turns out that the stuff I posted was
malformed, as you pointed out, but it was a desperate attempt after a number of
goes, and I got that one wrong. I tried again using:
-sh-3.2$ export CPPFLAGS=-I/hpc/software/packages/chemistry/fftw/include
-sh-3.2$ export LDFLAGS=-L/hpc/sofware/packages/chemistry/fftw/lib
-sh-3.2$ echo $CPPFLAGS
-I/hpc/software/packages/chemistry/fftw/include
-sh-3.2$ echo $LDFLAGS
-L/hpc/sofware/packages/chemistry/fftw/lib
Is still got:
checking for fftw3.h... yes
checking for main in -lfftw3f... no
configure: error: Cannot find fftw3f library
exactly as before. I am kicking myself for posting the malformed stuff. Any
ideas?
How did you install FFTW? What are the contents of the /lib directory?
I installed fftw3.2.1 using the tarball. As I remember it was:
tar -xzvf fftw-3.2.1.tar.gz
mkdir ../fftw
cd fftw-3.2.1
./configure --prefix /hpc/software/packages/chemistry/fftw
make
make install
I retyped this, so...
The contents of lib are:
-sh-3.2$ cd lib/
-sh-3.2$ ls -l
total 2196
-rw-r--r-- 1 grahamk uowstf 2230376 Jun 30 10:02 libfftw3.a
-rwxr-xr-x 1 grahamk uowstf 951 Jun 30 10:02 libfftw3.la
drwxr-xr-x 2 grahamk uowstf 4096 Jun 30 10:02 pkgconfig
OK, that explains it. You don't have the libfftwf.a and libfftwf.la that the
configure script is looking for. The recommended installation procedure
(creating single- and double-precision versions) is:
./configure --enable-threads --enable-float
make
make install
make distclean
./configure --enable-threads
make
make install
-Justin
Cheers,
graham
-Justin
Cheers,
****************************************
Graham Kettlewell
Research assistant
Centre for Atmospheric Chemistry
University of Wollongong
[email protected]
Tel: (61 2) 4221 5120
Fax: (61 2) 4221 4287
Mob: 0414 309 524
****************************************
-----Original Message-----
From: [email protected] [mailto:[email protected]] On
Behalf Of Justin A. Lemkul
Sent: Tuesday, 30 June 2009 1:25 PM
To: [email protected]; Discussion list for GROMACS users
Subject: Re: [gmx-users] Installation with non standard location of fftw3
Justin A. Lemkul wrote:
-sh-3.2$ export CPPFLAGS=-I/hpc/software/packages/chemistry/fftw/include
-sh-3.2$ export LDFLAGS=-I/hpc/software/packages/chemistry/fftw/lib
You want this line to contain -L, not -I.
That may have been a bit unclear; the LDFLAGS line should use -L, your CPPFLAGS
line is fine.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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