[gmx-users] problems building gromacs 3.3 with mpi on MacOS X

Erik Lindahl lindahl at sbc.su.se
Thu Nov 17 23:18:59 CET 2005


There is no reason to enable Fortran support on OS X since we have  
Altivec innerloops. Also, even on G3 machines g77 normally isn't any  
faster than gcc.



On Nov 17, 2005, at 7:25 PM, Jack Howarth wrote:

> Michel,
>     I am trying to build against g77 for now. I maintain the
> gromacs(-mpi) packages in fink and can't use xlf since most
> fink users won't have that.
>     Is your lam 7.1.1 built with shared library support? Also what
> happens when you try to build gromacs with shared library support?
> The gromacs 3.2.1 and lam 7.0.6 packages currently in fink are able
> to be built with full shared lib support (in order to keep the
> binaries of reasonable size). However I'm not having much luck with
> shared library support in migrating these packages to lam 7.1.1 and
> gromacs 3.3. Outside of the linkage error I mentioned when trying
> to build a shared lib version of gromacs 3.3 against a shared lib
> version of lam 7.0.6, I am finding that lam 7.1.1 doesn't seem
> to compile a usable version with shared lib support. When I build
> lam 7.1.1 as shared libs and run 'lamboot -v ./lamhosts', I get
> an error...
> hboot: attempting to execute
> router (nrecv): not attached to daemon
> ...which doesn't happen under lam 7.0.6 built with shared lib support.
>                        Jack
> ps I am using Xcode 2.2 in case that makes a difference.
> ~
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Erik Lindahl  <lindahl at sbc.su.se>
Assistant Professor, Stockholm Bioinformatics Center
Stockholm University, SE 106 91 Stockholm
Phone: +46 8 5537 8564     Fax: +46 8 5537 8214

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