Re: [AMBER] Open MPI failure

From: David A Case <case.biomaps.rutgers.edu>
Date: Mon, 6 May 2013 15:49:25 -0400

On Mon, May 06, 2013, David Winogradoff wrote:

> ... due to Open MPI failures.

OK: *my* favorite answer: build your own MPI installation, by using the
configure_openmpi or configure_mpich scripts in AMBERHOME/AmberTools/src.
That way, you know you are getting the right compiler, nothing outside the
Amber tree is referenced (so you don't need to worry about what MPI
installations might or might not be on your computer), etc. Also, this more
or less automatically gets you an up to date version.

Also, if you build MPI using our scripts, we have a reasonable shot at
debugging errors. If you are using something from
"/cell_root/software/openmpi/1.4.3/gnu/sys/lib" (your example), we have only
very indirect knowledge to go on.

...dac


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Received on Mon May 06 2013 - 13:00:02 PDT
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