Adrian -
PMEMD probably doesn't use any functionality found in these libraries at
present, assuming they are mostly linear algebra/matrix operations -
oriented. At some point, when something like this is a bottleneck, I'll
look into it.
Regards - Bob
----- Original Message -----
From: "Adrian Roitberg" <roitberg.qtp.ufl.edu>
To: <amber-developers.scripps.edu>
Sent: Tuesday, April 11, 2006 5:04 PM
Subject: amber-developers: GOTO libraries
> Hello Amberites,
>
> Has anyone tested the GOTO libraries for either sander or pmemd ?
>
> Can anyone post benchmarks for this ?
>
> Thanks !
>
> adrian
> --
> Dr. Adrian E. Roitberg
> Associate Professor
> Quantum Theory Project and Department of Chemistry
>
> University of Florida PHONE 352 392-6972
> P.O. Box 118435 FAX 352 392-8722
> Gainesville, FL 32611-8435 Email adrian.qtp.ufl.edu
> ============================================================================
>
> To announce that there must be no criticism of the president,
> or that we are to stand by the president right or wrong,
> is not only unpatriotic and servile, but is morally treasonable
> to the American public."
> -- Theodore Roosevelt
>
Received on Wed Apr 12 2006 - 06:07:11 PDT
