[gmx-users] Gromacs Installation troubles

[Jussi Lehtola]

On Tue, 2008-11-18 at 02:13 -0800, Nicholas Geraedts wrote:
> Mark - I've followed the instructions on the wiki. The last step says
> to email the mailing list, as I have done. I'm not sure about your
> comment for not needing a complete make if we're looking for MPI.
> There are situations where the program will be used in
> single-processor mode, as well as MPI. I'm not too concerned with the
> time it takes to compile all of this (it's only about 8 minutes for
> the whole lot).
> 
> Jussi - I'm trying to compile the packages myself since the pre-made
> RPM's don't seem to install the libraries needed. Furthermore, the LAM
> RPM would constantly complain about not being able to find gcc-g77 - a
> package found in CentOS4 but not CentOS5 (it's now referred to as
> compat-gcc-34-g77 - the names don't agree so rpm complains). Also,
> installing LAM from yum fails to put the required binaries where they
> belong! There's no lamboot, mpmirun, lamhalt, etc to be found anywhere
> in the path. I've found that it's often much less of a headache if you
> can find the source and start from scratch (this is the FreeBSD child
> in me talking). 

Don't use the binary RPMs from gromacs.org, just use Fedora / Fedora
EPEL + yum as I instructed a couple of mails ago. You should never use
rpm's compiled for another distribution or architecture when you have
native ones available.
-- 
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Jussi Lehtola, FM, Tohtorikoulutettava
Fysiikan laitos, Helsingin Yliopisto
jussi.lehtola at helsinki.fi, p. 191 50632
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Mr. Jussi Lehtola, M. Sc., Doctoral Student
Department of Physics, University of Helsinki, Finland
jussi.lehtola at helsinki.fi
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