I looked into it for the QMMM stuff but it doesn't support DSPEV or DSPEVD
so it isn't of much use there. I'm not sure other parts of sander would use
any of the routines in there either. The most useful stuff would be vectored
math routines such as vdinvsqrt which I also think it doesn't support so I
doubt it would make much difference to the performance...
All the best
Ross
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|\oss Walker
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> -----Original Message-----
> From: owner-amber-developers.scripps.edu
> [mailto:owner-amber-developers.scripps.edu] On Behalf Of
> Adrian Roitberg
> Sent: Tuesday, April 11, 2006 14:04
> To: amber-developers.scripps.edu
> 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 - 06:07:12 PDT
