Re: [AMBER] cuda_DPDP problems; large cutoff radius problems

From: Scott Le Grand <>
Date: Tue, 15 Feb 2011 09:39:56 -0800


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 []
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).


Just checking to see if you saw my earlier posts, with what should be easily
reproducible errors:


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