Re: [AMBER-Developers] Parallel Ptraj

From: case <case.biomaps.rutgers.edu>
Date: Fri, 4 Sep 2009 23:07:20 +0100

On Fri, Sep 04, 2009, Ross Walker wrote:
>
> Yes you have to support MPI-IO or you are toast. I assumed every
> self-respecting MPI implementation would support it since it is part of the
> standard. It is possible to build the MPI without ROMIO support which might
> be the problem - rather than it not actually supporting MPI-IO full stop.

Thanks. I had turned off romio in the LAM configure, since it was not
working in cygwin, and we weren't using that capability. We'll probably have
to ditch cygwin, but LAM seems to be fine with a new configuration that
includes the romio stuff. And ptraj.MPI compiles fine (haven't yet run
tests...)

> What other AmberTools has MPI right now? When I was looking it looked like
> the -mpi flag didn't turn anything on so that the only MPI program ended up
> being AmberTools.

NAB builds with MPI--all it needs is the -DMPI preprocessor directive.

....dac


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Received on Mon Sep 14 2009 - 11:53:24 PDT
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