[gmx-users] compilation fails on MAC OSX - Leopard

David van der Spoel spoel at xray.bmc.uu.se
Sun Nov 18 17:06:29 CET 2007

Hadas Leonov wrote:
> Hi,
> Thanks for your reply.
> I have succeeded to compile Gromacs on Leopard after the two following 
> changes:
> 1. disabling the optimization for ia32 with the options : 
> --disable-ia32-sse --disable-ia32-3dnow
> 2. installing open-mpi. For some reason "make" had a problem with the 
> lam-mpi libraries after passing the ia32 problem.
> The problem now is that Gromacs runs much slower than it used to. 
> Position Restraints that should have taken 2 hours, is now taking 5-6 
> hours. Could it be the ia32 optimization (even though it's not the Mac 
> Pro architechture?
> Thanks,
> Hadas.
> P.S same compilation problems (ia32, lam) happens on Version 3.3.1
It is a compiler problem, there will be a fix in 3.3.3 which we will 
release in the very near future.

David van der Spoel, Ph.D.
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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