AMBER Archive (2008)

Subject: Re: AMBER: Installing OpenMPI

From: David A. Case (case_at_scripps.edu)
Date: Wed Jan 23 2008 - 11:07:46 CST

On Tue, Jan 22, 2008, Hopkins, Robert wrote:

> I used the g95 Fortran compiler (I'm operating in a Cygwin
> environment on a Windows machine). As a result, I went ahead and tried
> to install OpenMPI

I've never had any luck using openMPI with cygwin. The only MPI that works
for me is LAM, and that compiles out of the box. As an alternative, you
can get precompiled libraries for MPICH2 and link those in.

If someone on the list knows how to make openMPI work with cygwin, I hope they
will contribute their knowledge. LAM is pretty good, but suffers (again, for
me) the problem that the daemon can get confused if you try to run lots of MPI
jobs one right after another (e.g. as in running the test cases). But it
seems to work fine for "real" runs.

...dac

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