st wrote: > Hi There, > > I have some problems installing gromacs on the linux server. > > fftw installed with no error, but when I install gromacs, > I got the following error: > ***************************************** > /bin/sh ../../libtool --tag=CC --mode=link cc -O3 -fomit-frame-pointer > -finline-functions -Wall -Wno-unused -funroll-all-loops > -L/home/y1gao/soft/fftw/lib -o grompp grompp.o libgmxpreprocess_d.la > ../mdlib/l > cc -O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused > -funroll-all-loops -o .libs/grompp grompp.o -L/home/y1gao/soft/fftw/lib > ./.libs/libgmxpreprocess_d.a -L/usr/X11R6/lib ../mdlib/.libs/libmd_d.so /n > _d.so -lnsl -lfftw3 -lm -lSM -lICE -lX11 -Wl,--rpath > -Wl,/home/y1gao/soft/gromacs//lib > ../mdlib/.libs/libmd_d.so: undefined reference to `__libm_sse2_sincos' > ../mdlib/.libs/libmd_d.so: undefined reference to `__libm_sse2_log' > ../mdlib/.libs/libmd_d.so: undefined reference to `_intel_fast_memcpy' > collect2: ld returned 1 exit status > make[3]: *** [grompp] Error 1 > make[3]: Leaving directory > `/nas/y1gao/installation_files/gromacs-4.0.4/gromacs-4.0.4/src/kernel' > make[2]: *** [all-recursive] Error 1 > make[2]: Leaving directory > `/nas/y1gao/installation_files/gromacs-4.0.4/gromacs-4.0.4/src' > make[1]: *** [all] Error 2 > make[1]: Leaving directory > `/nas/y1gao/installation_files/gromacs-4.0.4/gromacs-4.0.4/src' > make: *** [all-recursive] Error 1 > ******************************************* > > I used the combinations of the following fftw and gromacs: > fftw 3.2.1; fftw3.2.2 > gromacs 3.3.3; gromacs 4.0.4 > > gcc version 3.4.6
Actually it looks to me like you're using an Intel C compiler, not gcc. Set CC=gcc on the configure line. Mark > The command I used are: > ************************* > To install fftw: > $ ./configure --enable-threads --enable-sse2 -prefix > /home/y1gao/soft/fftw/lib > $ make > $ make install > > To install gromacs: > $ ./configure --enable-shared LDFLAGS='-L/home/y1gao/soft/fftw/lib' > CPPFLAGS='-I/home/y1gao/soft/fftw/include' --enable-double > --prefix=/home/y1gao/soft/gromacs/ > $ make > $ make install > ( error comes out here) > > ************************* > > Could anyone help me find a way out? Thanks in advance. > > Stone > > > > ------------------------------------------------------------------------ > > _______________________________________________ > 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 _______________________________________________ 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
