[gmx-users] 64 bit compiling on OS X

David van der Spoel spoel at xray.bmc.uu.se
Fri Jun 6 21:18:09 CEST 2008

Has anybody succeeded compiling gromacs in 64 bit mode on OS X with 
assembly? The problem is that uname -m returns i386, even though the 
machine is perfectly able to compile 64 bit stuff.

A little bit later I was able to compile like this:
#!/bin/csh -f

setenv CPPFLAGS -I/sw/include
setenv LDFLAGS  "-L/sw/lib -m64"
setenv CFLAGS   -m64
setenv CXXFLAGS -m64
setenv ASFLAGS ""
--prefix=/Users/spoel/software-4.0 --with-gsl --host=x86_64-apple-darwin 
--build=x86_64-apple-darwin --disable-ia32-sse
--disable-ia32-3dnow --disable-x86-64-sse

make install

However, no assembly, and one needs to compile all the dependencies 
(FFTW etc.) in 64 bit mode as well.

Any more tips and fixes?

David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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