On 12/08/2011 12:38 AM, afsaneh maleki wrote:
Hi,


My characteristics computer:

Root at ...fftw-3.2.2]# uname -a

Linux localhost.localdomain 2.6.31.5-127.fc12.i686.PAE #1 SMP Sat Nov 7 21:25:57 EST 2009 i686 i686 i386 GNU/Linux

To install FFTW version 3.2.2.

I used the following commands:

Root at ...fftw-3.2.2]#./configure --enable-threads --enable-float --enable-shared

Root at ...fftw-3.2.2]#make

Root at ...fftw-3.2.2]#make install

After using "make" and "make install", it get me the following text at end:

make[3]: Leaving directory `/home/afsaneh/m/fftw-3.2.2/tools'

make[2]: Leaving directory `/home/afsaneh/m/fftw-3.2.2/tools'

Making all in m4

make[2]: Entering directory `/home/afsaneh/m/fftw-3.2.2/m4'

make[2]: Nothing to be done for `all'.

make[2]: Leaving directory `/home/afsaneh/m/fftw-3.2.2/m4'

make[1]: Leaving directory `/home/afsaneh/m/fftw-3.2.2'

..........................

To install gromacs version 4.5.1

root@localhost gromacs-4.5.1]#./configure


You aren't configuring to use fftw3. You should probably use the same --enable-shared setting for both FFTW and GROMACS.

* On most platforms you can save 10X space with dynamic libraries, although

the binaries might be less portable. Why not try --enable-shared ?

[root@localhost gromacs-4.5.1]#make

[root@localhost gromacs-4.5.1]#make install

[root@localhost gromacs-4.5.1]# make links

cd /usr/local/gromacs/bin && programs=`ls` && cd /usr/local/bin && \

for i in $programs; do \

(test ! -f $i && ln -s /usr/local/gromacs/bin/$i . ; exit 0); \

done

when i used each command with" --h" or "--help" I obtain the followinf error:

[afsaneh@localhost ~]$ g_analyze -h

g_analyze: error while loading shared libraries: libfftw3f.so.3: cannot open shared object file: No such file or directory


Sounds like somehow the make environment could find the FFTW libraries, but the execution environment could not. Do heed the advice here http://www.gromacs.org/Downloads/Installation_Instructions#Getting_access_to_GROMACS_after_installation (and the rest of the instructions, too)

Mark

[afsaneh@localhost ~]$ editconf -h

editconf: error while loading shared libraries: libfftw3f.so.3: cannot open shared object file: No such file or directory

How to solve this problem?

Best wishes,

Afsaneh




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