AMBER Archive (2002)

Subject: Re: Reorder water in amber7

From: Peter VARNAI (Peter.Varnai_at_ibpc.fr)
Date: Tue Jun 11 2002 - 12:16:00 CDT

Thanks for the answers!

Now what is not clear to me if is so good for Linux
machines why there is no ROWAT flag in the PC machine
files only for sgi, axp, and hp?

Peter

> to turn off this feature (to track water) you
> can make sure that the MACHINE file
> does not have the -ROWAT flag.
> Using this flag does improve code
> efficiency and noticably helps scaling on
> our Linux cluster. Look at the code
> for details (look for ifdef ROWAT).