Need.Input.Files...
But the slowdown is not unexpected... It's not hard to address either...
DPDP mode should be working - I tested it with JAC - about 120 seconds. It worked with my test cases. Is this with the 12 A cutoff?
It's only "easily reproducible" with the offending input file...
Have I sufficiently beaten this horse to death yet?
-----Original Message-----
From: case [mailto:case.biomaps.rutgers.edu]
Sent: Tuesday, February 15, 2011 09:17
To: AMBER Mailing List
Cc: Scott Le Grand
Subject: cuda_DPDP problems; large cutoff radius problems
On Tue, Feb 15, 2011, Scott Le Grand wrote:
>
> For me to fix things at the GPU end if you go that route, I need an
> *explicit* repro with everything explictly set in a single GPU. It'll
> take all of 20 minutes to figure it out with such a simulation (just
> checked in the fix to a repro sent to me at 11:30 last night for
> example).
Scott:
Just checking to see if you saw my earlier posts, with what should be easily
reproducible errors:
http://dev-archive.ambermd.org/201102/0027.html
http://dev-archive.ambermd.org/201102/0028.html
...thx...dac
-----------------------------------------------------------------------------------
This email message is for the sole use of the intended recipient(s) and may contain
confidential information. Any unauthorized review, use, disclosure or distribution
is prohibited. If you are not the intended recipient, please contact the sender by
reply email and destroy all copies of the original message.
-----------------------------------------------------------------------------------
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Feb 15 2011 - 10:00:03 PST
