* Shobhit Kudesia <shobhit.kude...@gmail.com> [2009-06-30 21:19:47 -0400]:
Hi, I installed fftw as follows (creating single- and double-precision versions) : ./configure --enable-threads --enable-float --prefix=/home/kudesias/fftw make make install make distclean ./configure --enable-threads --prefix=/home/kudesias/fftw make make install I also used export CPPFLAGS=-I/home/kudesias/fftw/include export LDFLAGS=-L/home/kudesias/fftw/lib ( Initially I used I in place of L so I corrected it) On using the configure script ./configure --enable-mpi I get the following error then checking how to hardcode library paths into programs... immediate checking for special C compiler options needed for large files... no checking for _FILE_OFFSET_BITS value needed for large files... no checking for _LARGEFILE_SOURCE value needed for large files... 1 checking for sqrt in -lm... yes checking for fftw3.h... configure: error: Cannot find the default external FFT library (fftw3). I will be glad if you can help with this.
I tried your procedure on my computer and the configure script finished without trouble. Are your sure using fftw**3** ? In case you use fftw2 you have to tell the script. Another problem can be that you set the enviroment variables in another shell window as you execute the configure script, because then CPPFLAGS and LDFLAGS are not present anymore. To be on the safe side put all in one line: ./configure --prefix=$HOME/gmx4 LDFLAGS=-L$HOME/fftw/lib CPPFLAGS=-I$HOME/fftw/include This command line should work for you, in case FFTW3 is located as you mentioned before. So try copy&paste and tell us over the mailing list what happend. Flo
Thanks On Thu, Jun 25, 2009 at 2:08 AM, Florian Dommert < domm...@icp.uni-stuttgart.de> wrote:* Shobhit Kudesia <shobhit.kude...@gmail.com> [2009-06-25 01:55:00 +0530]: Hi ,During the ./configure of gromacs on my Bash Shell, I get the following error: configure: error: Cannot find fftw3f library I have installed fftw3 files in a directory other than usr/local. I have installed fftw3 both with double and single precision but I still get the error while configuration of GROMACS for default single precision. I have also included the libraries usinG CPPFLAGS & LDFLAGS.If you have installed the single version of FFTW3 and supply the corresponding CPPFLAGS and LDFLAGS to configure then the script will find the libraries. So two errors are very likely though we do not anything about your installation: * a small typo in the configure line ( if you present it here, everybody can judge this ) * the installation of the single precision fftw3f failed for any reasons FloAny help will be appreciated _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php-- Florian Dommert Dipl.-Phys. Institute for Computational Physics University Stuttgart Pfaffenwaldring 27 70569 Stuttgart Tel: +49 - 711 / 6856-3613 Fax: +49 - 711 / 6856-3658 EMail: domm...@icp.uni-stuttgart.de Home: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert<http://www.icp.uni-stuttgart.de/%7Eicp/Florian_Dommert> !! PGP-ENCODED emails preferred !! _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php-- With Warm Regards Shobhit Kudesia 3rd year Undergraduate Department of Biotechnology IIT Kharagpur
_______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting!Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org.Can't post? Read http://www.gromacs.org/mailing_lists/users.php
-- Florian Dommert Dipl.-Phys. Institute for Computational Physics University Stuttgart Pfaffenwaldring 27 70569 Stuttgart Tel: +49 - 711 / 6856-3613 Fax: +49 - 711 / 6856-3658 EMail: domm...@icp.uni-stuttgart.de Home: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert !! PGP-ENCODED emails preferred !!
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