Hello once again As per the suggestions, I went ahead and installed an older version of the gcc compiler: version 3.4.
I then re-installed fftw and gromacs3.3.3 using the following commands: ./configure --enable-float --enable-threads --enable-sse --prefix=/home/david/fftw-gcc3 CC=/usr/lib64/ccache/gcc34 CXX=/usr/lib64/ccache/g++34 ./configure LDFLAGS=-L/home/david/fftw-gcc3/lib CPPFLAGS=-I/home/david/fftw-gcc3/include --prefix=/usr/local/gromacs-single-3.3.3-gcc3 CC=/usr/lib64/ccache/gcc34 CXX=/usr/lib64/ccache/g++34 The compilation seems to finish, but I do still find a couple of error instances: conftest.c: In function `main': conftest.c:42: error: `not' undeclared (first use in this function) conftest.c:42: error: (Each undeclared identifier is reported only once conftest.c:42: error: for each function it appears in.) conftest.c:42: error: syntax error before "big" conftest.c: In function `main': conftest.c:51: error: void value not ignored as it ought to be Wno-unused -funroll-all-loops -I/home/david/fftw-gcc3/include conftest.c >&5 conftest.c:74: error: syntax error before "ac__type_new_" conftest.c:74: warning: type defaults to `int' in declaration of `ac__type_new_' conftest.c:74: warning: data definition has no type or storage class conftest.c: In function `main': conftest.c:86: error: syntax error before ')' token Do these indicate my configure run failed? Sorry, I just don't know what to make of these. Gromacs runs after, but I am still getting odd tyrosine behaviour. The dihedral once again resembles a chair at the beginning and then settles down during extended equilibration. Based on previous experience I am not used to this sort of behaviour - can anyone confirm this is something to worry about? (www.ucalgary.ca/~dichan/gcc3_h2o_eq.jpg) Cheers, David _______________________________________________ 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
