ls -l /applic/local/lib/libfftw* should see libfftw3f.a there (libfftw3.a is the double precision, libfftw3f.a is the single precision fftw3 lib)
export LIBS='-L/applic/local/lib -lfftw3f' ./configure ....... Senthil Kumar M wrote: > Hi, > > Earlier i had faced problems installing FFTW on IBM p595. Thankfully > now I had found out that they were already installed and I assumed > they weren't: > > [EMAIL PROTECTED]:~/gromacs-3.3.3$ ls -al /applic/local/lib/libfftw3.* > -rw-r--r-- 1 applic in0007 2507094 Nov 12 2007 > /applic/local/lib/libfftw3.a > -rwxr-xr-x 1 applic in0007 766 Nov 12 2007 > /applic/local/lib/libfftw3.la > > And here: > > [EMAIL PROTECTED]:~/gromacs-3.3.3$ ls -al /applic/local/include/fftw3.* > -rw-r--r-- 1 applic in0007 2373 Nov 12 2007 > /applic/local/include/fftw3.f > -rw-r--r-- 1 applic in0007 14011 Nov 12 2007 > /applic/local/include/fftw3.h > > I have added the following lines to my .bashrc: > > # for Gromacs > export CPPFLAGS=-I/applic/local/include > export LDFLAGS=-L/applic/local/lib > > export AR='ar -X 32' > export CC='xlc_r -q32' > export F77='xlf_r -q32' > export CXX='xlC_r -q32' > export OBJECT_MODE=32 > export FFLAGS='-O2 -qarch=pwr5 -qtune=pwr5 -qmaxmem=-1 -qstrict' > export CFLAGS='-O2 -qarch=pwr5 -qtune=pwr5 -qmaxmem=-1 -qstrict' > export FFLAGS='-O4 -qmaxmem=-1 -qstrict' > export CFLAGS='-O4 -qmaxmem=-1 -qstrict' > export MPICC=mpicc > > After that, I do: > [EMAIL PROTECTED]:~/gromacs-3.3.3$ ./configure --prefix=$HOME/GROMACS333 > > result > > I get the following: > > configure: WARNING: unknown Fortran name-mangling scheme > ./configure[24445]: ACX_FIXED_FUNC_FSEEKO: not found > > And a grep for fftw in the file result yields: > > [EMAIL PROTECTED]:~/gromacs-3.3.3$ grep fftw result > checking for fftw3.h... yes > checking for main in -lfftw3f... yes > > > And tail result gives: > [EMAIL PROTECTED]:~/gromacs-3.3.3$ tail result > config.status: creating share/template/Makefile > config.status: creating share/top/Makefile > config.status: creating share/html/Makefile > config.status: creating share/html/images/Makefile > config.status: creating share/html/online/Makefile > config.status: creating man/Makefile > config.status: creating man/man1/Makefile > config.status: creating src/config.h > config.status: executing depfiles commands > > And a grep for fftw in the config.log file yields: > [EMAIL PROTECTED]:~/gromacs-3.3.3$ grep fftw config.log > configure:25588: checking for fftw3.h > configure:25636: checking for main in -lfftw3f > configure:25673: xlc_r -q32 -o conftest -O4 -qmaxmem=-1 -qstrict > -I/applic/local/include -L/applic/local/lib conftest.c -lfftw3f -lm > >> &5 >> > 1586-403 (E) Library file "fftw3f" not found. > configure:26248: xlc_r -q32 -o conftest -O4 -qmaxmem=-1 -qstrict > -I/applic/local/include -L/applic/local/lib conftest.c -lnsl -lfftw3f > -lm >&5 > 1586-403 (E) Library file "fftw3f" not found. > configure:26323: xlc_r -q32 -o conftest -O4 -qmaxmem=-1 -qstrict > -I/applic/local/include -L/applic/local/lib conftest.c -lnsl -lfftw3f > -lm >&5 > 1586-403 (E) Library file "fftw3f" not found. > configure:26423: xlc_r -q32 -o conftest -O4 -qmaxmem=-1 -qstrict > -I/applic/local/include -L/applic/local/lib conftest.c -lnsl -lfftw3f > -lm >&5 > 1586-403 (E) Library file "fftw3f" not found. > configure:26593: xlc_r -q32 -o conftest -O4 -qmaxmem=-1 -qstrict > -I/applic/local/include -L/applic/local/lib conftest.c -lnsl -lfftw3f > -lm >&5 > 1586-403 (E) Library file "fftw3f" not found. > configure:26688: xlc_r -q32 -o conftest -O4 -qmaxmem=-1 -qstrict > -I/applic/local/include -L/applic/local/lib conftest.c -lnsl -lfftw3f > -lm >&5 > 1586-403 (E) Library file "fftw3f" not found. > configure:26818: xlc_r -q32 -o conftest -O4 -qmaxmem=-1 -qstrict > -I/applic/local/include -L/applic/local/lib conftest.c -lnsl -lfftw3f > -lm >&5 > 1586-403 (E) Library file "fftw3f" not found. > configure:26920: xlc_r -q32 -o conftest -O4 -qmaxmem=-1 -qstrict > -I/applic/local/include -L/applic/local/lib conftest.c -lnsl -lfftw3f > -lm >&5 > 1586-403 (E) Library file "fftw3f" not found. > configure:27206: xlc_r -q32 -o conftest -O4 -qmaxmem=-1 -qstrict > -I/applic/local/include -L/applic/local/lib conftest.c -lX11 -lnsl > -lfftw3f -lm >&5 > 1586-403 (E) Library file "fftw3f" not found. > configure:27456: xlc_r -q32 -o conftest -O4 -qmaxmem=-1 -qstrict > -I/applic/local/include -L/applic/local/lib conftest.c -lnsl -lfftw3f > -lm -lX11 >&5 > 1586-403 (E) Library file "fftw3f" not found. > configure:27699: xlc_r -q32 -o conftest -O4 -qmaxmem=-1 -qstrict > -I/applic/local/include -L/applic/local/lib conftest.c -lnsl -lfftw3f > -lm >&5 > 1586-403 (E) Library file "fftw3f" not found. > configure:27947: xlc_r -q32 -o conftest -O4 -qmaxmem=-1 -qstrict > -I/applic/local/include -L/applic/local/lib conftest.c -lnsl -lfftw3f > -lm >&5 > 1586-403 (E) Library file "fftw3f" not found. > configure:28114: xlc_r -q32 -o conftest -O4 -qmaxmem=-1 -qstrict > -I/applic/local/include -L/applic/local/lib conftest.c -lnsl -lfftw3f > -lm >&5 > 1586-403 (E) Library file "fftw3f" not found. > configure:28281: xlc_r -q32 -o conftest -O4 -qmaxmem=-1 -qstrict > -I/applic/local/include -L/applic/local/lib conftest.c -lnsl -lfftw3f > -lm >&5 > 1586-403 (E) Library file "fftw3f" not found. > configure:28436: xlc_r -q32 -o conftest -O4 -qmaxmem=-1 -qstrict > -I/applic/local/include -L/applic/local/lib conftest.c -lICE -lnsl > -lfftw3f -lm >&5 > 1586-403 (E) Library file "fftw3f" not found. > configure:28654: xlc_r -q32 -o conftest -O4 -qmaxmem=-1 -qstrict > -I/applic/local/include -L/applic/local/lib conftest.c -lSM -lICE > -lXm -lXt -lX11 -lnsl -lfftw3f -lm >&5 > 1586-403 (E) Library file "fftw3f" not found. > configure:28798: xlc_r -q32 -o conftest -O4 -qmaxmem=-1 -qstrict > -I/applic/local/include -L/applic/local/lib conftest.c -lSM -lICE > -lX11 -lnsl -lfftw3f -lm -lXm -lXt -lXext -lXp >&5 > 1586-403 (E) Library file "fftw3f" not found. > ac_cv_lib_fftw3f_main=yes > LIBS=' -lnsl -lfftw3f -lm -lXm -lXt -lSM -lICE -lXext -lXp -lX11 > -link -L/applic/local/lib -lxlf90 -L/usr/lpp/xlf/lib -lxlopt -lxlf > -lxlomp_ser -lpthreads -lm -lc)' > MDLIB_LIBOBJS=' qm_gaussian.lo gmx_fft_fftw3.lo' > > I am not sure how fftw was compiled in the system (ie whether with > --enable-float option or not). Could someone point out what is wrong > here ? I am sorry for my naive questions, I am new to GROMACS and a > search in the archives and web did not help. > > Thank you for your help, > > Sincerely Yours, > > Senthil > > --/ > "You have heard me speak of Professor Moriarty?" > "The famous scientific criminal, as famous among crooks as --" > "My blushes, Watson," Holmes murmured, in a deprecating voice. > "I was about to say 'as he is unknown to the public.'" > -- A. Conan Doyle, "The Valley of Fear" > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.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 [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
