Re: ISTAR2 and 64-bit sander

From: jim caldwell <>
Date: Wed 18 Apr 2001 13:26:42 -0700 (PDT)

On Wed, 18 Apr 2001, Jarrod Smith wrote:

> We have a larger system that causes sander to ask us to recompile
> without ISTAR2 defined. This leads me to two questions about about the
> ISTAR2 option:

As far as I know, it hasn't been tested. I don't know that
it would cause problems but you are on your own.

> 1. Is it safe to set native=64 in sander.f when compiling a 64 bit
> binary on e.g. Alpha or SGI?

I doubt if it helps except that the compiler doesn't have to
worry about mixing *4 and *8 variables.

> 2. Does this really make a difference one way or the other? I assume
> this scheme is used for speed (or is it memory?), but I've not tested
> the effect.
> Jarrod A. Smith
> Research Asst. Professor, Biochemistry
> Asst. Director, Center for Structural Biology
> Computation and Molecular Graphics
> Vanderbilt University

James W. Caldwell (voice) 415-476-8603
Department of Pharmaceutical Chemistry (fax) 415-502-1411
Mail Stop 0446 (email)
513 Parnassus Avenue (video)
University of California (netmeeting)
San Francisco, CA 94143-0446
Received on Wed Apr 18 2001 - 13:26:42 PDT
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