On Wed, Mar 17, 2004, MengJuei Hsieh wrote:
>
> The attached new patch file is just a new version, this should work with
> ptraj and any arpack related program.
>
> If any of you want to compile g5 specific program, remember to change
> -qarch=auto -qtune=auto
> To
> -qarch=g5 -qtune=g5
>
> Cheers,
> --
> Mengjuei Hsieh, Luo group, Molecular Biology and Biochemistry,
University of
> California Irvine. Tel: 49562, Address: 3144 Natural Science I building.
> Group Homepage: http://rayl0.bio.uci.edu/
Thanks very much! I've committed the patch to the amber9 tree. After a
short
while for others to test, we (or you) could post this to the amber list,
and
we can also put it on to the Web site.
Do you have any benchmark timings we could report?
...regards...dac
--
==================================================================
David A. Case | e-mail: case.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
==================================================================
Received on Wed Apr 05 2006 - 23:50:04 PDT
