[gmx-users] Gromacs 3.2.1 Lam 7.1.1 fftw 2.1.5
KrewsonT at roanestate.edu
Tue Apr 26 17:18:47 CEST 2005
I was able to compile from scratch fftw and gromacs on the head node. Compiling gives you alot of control you don't have with RPMs.....but if you compile on the head node what would be the best way to get your compute nodes to automatically rebuild the gromacs series when the compute nodes need rebuilding. Running make and make install with ./configure flags is just to much for many nodes.
From: David [mailto:spoel at xray.bmc.uu.se]
Sent: Tuesday, April 26, 2005 11:03 AM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] Gromacs 3.2.1 Lam 7.1.1 fftw 2.1.5
On Tue, 2005-04-26 at 10:12 -0400, Krewson, Tom wrote:
> I have not been able to get fftw-mpi-2.1.3 to install on rocks 3.3 with
> lam 7.x with without using --nodeps as it does not find lam. Does anyone
> know if using fftw 2.1.3-mpi with --nodeps works with gromacs-mpi-3.2.1,
> fftw-2.1.3 and lam 7.1.1? I am suspicious of using --nodeps....it just
> seems like it could cause problems.
Compile everything from scratch. It will save yuo a lot of trouble.
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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