Re: amber-developers: PIMD, NEB, LES - request for code inspection and tests

From: Kim F. Wong <>
Date: Fri, 20 Jul 2007 16:58:17 -0600

> I've been working on some major changes to neb anyway,
> following what has already been done to put neb into multisander.
> does anyone want to keep neb in the LES style, or can we make it
> multisander only?
It would be nice to be able to couple NEB with EVB and with EVB/PIMD.
But EVB already uses multisander and PIMD uses LES so the different
elements will tend to bleed into one another either way look at the
interfaces. A multisander NEB appears to be the clean way to do things;
it would also be nice if the experts put in a few more levels of
communicators ... that way I can scavenge from that pile without much work.

Obviously I have not thought much about the above :-)

Received on Sun Jul 22 2007 - 06:07:52 PDT
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