AMBER Archive (2008)

Subject: Re: AMBER: Installing OpenMPI

From: Francesco Pietra (
Date: Wed Jan 23 2008 - 12:18:44 CST

cygwin. Although I don't know it, I always found curious that someone gets
involved in simulating an OS that is free as Linux. Normally, one should expect
limitations in simulations. With Linux, getting parallelization of Amber upon
OpenMPI is plain doing. I understand the inverse path, simulating Windows
because certain non-computational programs have been written at the time of
non-graphical DOS and continued with Windows. A case in point: I simulate
Windows with wine in order to use Asksam, which has no counterpart in unix OSs
and, being useful even without fields, is the only database that I found useful
during the study of literature, better than a book notes. But, is it anything
in cygwin that justifies its existence? As cygwin exists, there must be such a
thing. Cheers, francesco pietra

--- "David A. Case" <> wrote:

> 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
> 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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