[gmx-users] How to install gromacs 4.5.1

[afsaneh maleki]

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 at localhost gromacs-4.5.1]#./configure

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

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



[root at localhost gromacs-4.5.1]#make

[root at localhost gromacs-4.5.1]#make install

[root at 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 at localhost ~]$ g_analyze -h

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



[afsaneh at 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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110811/b1d5d58b/attachment.html>