[gmx-users] Installing GROMACS under OS X 10.2

[Erik Lindahl]

Christopher Yip wrote:

> Hi all
>
> I'm trying to install GROMACS 3.1.4 on a clean install of OS X 10.2... 
> and I ran into this error..
>
> ++++
> Yip733:/Applications/gromacs-3.1.4] cmyip% sudo make install
> Password:
> Making install in src
> Making install in gmxlib
> source='fnbf.c' object='fnbf.lo' libtool=yes \
> depfile='.deps/fnbf.Plo' tmpdepfile='.deps/fnbf.TPlo' \
> depmode=gcc /bin/sh ../../config/depcomp \
> /bin/sh ../../libtool --mode=compile cc -DHAVE_CONFIG_H -I. -I. 
> -I../../src  -I../../include 
> -DGMXLIBDIR=\"/usr/local/gromacs/share/top\"   -O6 
> -fomit-frame-pointer -finline-functions -Wall -Wno-unused 
> -no-cpp-precomp -faltivec -mcpu=powerpc -fno-schedule-insns -c -o 
> fnbf.lo `test -f fnbf.c || echo './'`fnbf.c
> cc -DHAVE_CONFIG_H -I. -I. -I../../src -I../../include 
> -DGMXLIBDIR=\"/usr/local/gromacs/share/top\" -O6 -fomit-frame-pointer 
> -finline-functions -Wall -Wno-unused -no-cpp-precomp -faltivec 
> -mcpu=powerpc -fno-schedule-insns -c fnbf.c -Wp,-MD,.deps/fnbf.TPlo -o 
> fnbf.o
> ../../include/ppc_altivec.h: In function `set_non_java_mode':
> ../../include/ppc_altivec.h:60: argument 0 to built-in function 
> `vec_splat_u32' does not satisfy constraint A
> make[2]: *** [fnbf.lo] Error 1
> make[1]: *** [install-recursive] Error 1
> make: *** [install-recursive] Error 1
>
> +++++
>
> Any ideas?  BTW - noticed that bash appears to be the native shell for 
> OS X (so the  /bin/sh works where as before you had to download bash 
> to run as /bin/bash ...etc..)
>
>
>
Hi Christopher,

This is a confirmed bug in Apple's version of gcc-3.1. Fortunately I've 
had access to a prerelease version of OS X 10.2, so I've already worked 
around it in CVS...

The only reason I haven't released a new version yet is that I've been 
busy doing CASP the last couple of weeks, but that's over now so with a 
little luck we'll put something
out in a week or two.

If you want to there is a beta version of 3.1.5 (well, it might be 3.2 
when it's released...) in ftp://ftp.gromacs.org/pub/beta . This also 
includes a major revision of the
PPC Altivec inner loops that makes Gromacs significantly faster on G4 
hardware. I've also worked around the gcc-bug you encountered...

Cheers,

Erik