Also, verify you compile gromacs with the same compiler used for FFTW. If you've already done that, you might try setting
export LD_LIBRARY_PATH=$FFTWINSTALL/lib:$LD_LIBRARY_PATH And add the $FFTWINSTALL/include and lib to your CPPFLAGS and LDFLAGS etc... -----Original Message----- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of David van der Spoel Sent: Tuesday, December 26, 2006 9:10 AM To: Discussion list for GROMACS users Subject: Re: [gmx-users] configuration error Cherry Y. Yates wrote: > Dear gromacs developlers, > > When I tried to parallelize GROMACS with intel > fortran/C compiler on a Athlon cluster, I met this > kind of error: > > $ ./configure --enable-mpi > ......... > checking size of int... configure: error: cannot > compute sizeof (int), 77 > > What is wrong? Needs help! > Thanks, > > Cherry > > > __________________________________________________ > Do You Yahoo!? > Tired of spam? Yahoo! Mail has the best spam protection around > http://mail.yahoo.com > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > 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 check archives. you probably need to upgrade the fftw libraries. -- David. ________________________________________________________________________ David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group, Dept. of Cell and Molecular Biology, Uppsala University. Husargatan 3, Box 596, 75124 Uppsala, Sweden phone: 46 18 471 4205 fax: 46 18 511 755 [EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users 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 [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users 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
