On Fri, Dec 22, 2000, ReichertD_at_mir.wustl.edu wrote:
> I hope that someone out on the list can provide some help. I'm trying to
> compile AMBER 6 on a Linux cluster using MPICH, after a struggle I managed
> to get it to compile and the parallel version of sander runs fine, ...
We'd be interested in any details of your struggle you care to give us,
so that future versions will be better. Maybe just send the final MACHINE
file that you used. We've found it difficult to anticpate all the various
things that users try with Linux/MPICH clusters, and user input is helpful.
> gibbs is another story.
MPI gibbs is not supposed to work, but it is supposed to give a
understandable error message :-( Only shared memory parallelism is
currently working (for gibbs), and only MPI parallelism works for sander [go
figure...]. We'd like to get this fixed, but no one has had (or taken) the
time to look at this.
...thanks for your input, and best wishes for the New Year....dac
--
==================================================================
David A. Case | e-mail: case_at_scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Fri Dec 29 2000 - 09:56:24 PST
