Re: [AMBER-Developers] Status of the "cray" targets in AmberTools/src/Makefile?

From: David Case <>
Date: Tue, 17 Jan 2017 08:39:08 -0500

On Mon, Jan 16, 2017, Thomas Cheatham wrote:
> > > Is anyone up on the status of the cray_serial, cray_parallel and
> > > cray_openmp targets in AmberTools/src/Makefile?
> >
> > I created these in response to complaints Tom and I got from the Blue
> > Waters people that the 'cray' compiler option for configure did not

Since pmemd and cpptraj are the only programs that would reasonably take
advantage of hardware like Blue Waters, how about if we just try to support
those two programs with the Cray compilers? (Sander would be a nice candidate
as well, but that is much more complex.) Am I missing something else that
people would want to run on Blue Waters, and which might benefit from special

In this way, we would not continue to attempt to figure out which other Amber
programs do or do not work with Cray compilers.


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Received on Tue Jan 17 2017 - 06:00:03 PST
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