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.
>
> TIA
>
> Jarrod A. Smith
> Research Asst. Professor, Biochemistry
> Asst. Director, Center for Structural Biology
> Computation and Molecular Graphics
> Vanderbilt University
>
> jsmith_at_structbio.vanderbilt.edu
>
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Received on Wed Apr 18 2001 - 13:26:42 PDT
