Results so far are:
On a machine with 3 x GTX-Titan - AMBER 12 + patches as of Aug 6th 2013
with CUDA 5.0 and the latest driver v325.15 running my GTX780 validation
which is 10 runs on each GPU of JAC NPT for 2,000,000 steps per run for a
total of 30 runs ALL 30 runs are bitwise identical. This is compared to
divergence occurring in 5 minutes for the older driver.
So I would say a tentative - YES this does appear to fix the Titan
problem!!!! :-)
I would encourage people to help though and do some more testing (need to
check parallel for example) and also more varied systems and perhaps
longer runs but for now at least it looks very encouraging.
I will shortly be releasing a patch for AMBER 12 that will force the code
to quit if it detects a Titan or 780 GPU being used with a driver earlier
than 325.15.
All the best
Ross
On 8/7/13 10:30 AM, "filip fratev" <filipfratev.yahoo.com> wrote:
>Hi Ross,
>What are your in house results? Is this fix solve the Titan problem?
>
>Regards,
>Filip
>
>
>
>
>________________________________
> From: Ross Walker <ross.rosswalker.co.uk>
>To: AMBER Mailing List <amber.ambermd.org>
>Cc: AMBER Developers Mailing List <amber-developers.ambermd.org>
>Sent: Tuesday, August 6, 2013 3:01 AM
>Subject: [AMBER] GTX-Titan / GTX780 Fix
>
>
>Dear All,
>
>NVIDIA has just released an updated driver that is designed to address the
>issues seen with GTX-Titan and GTX-780 cards. This has been tested
>extensively in house but has yet to be fully tested publicly. I would
>encourage those of you with GTX-Titan and GTX-780 cards to try installing
>this driver and see if it addresses the issues you have been seeing with
>those cards. I'd be interested in your feedback and also reports of
>performance.
>
>The driver is here:
>
>http://www.nvidia.com/object/linux-display-amd64-325.15-driver.html
>
>I recommend using the CUDA 5.0 toolkit. A patch for CUDA 5.5 with AMBER 12
>will be coming shortly.
>
>All the best
>Ross
>
>/\
>\/
>|\oss Walker
>
>---------------------------------------------------------
>| Associate Research Professor |
>| San Diego Supercomputer Center |
>| Adjunct Associate Professor |
>| Dept. of Chemistry and Biochemistry |
>| University of California San Diego |
>| NVIDIA Fellow |
>| http://www.rosswalker.co.uk | http://www.wmd-lab.org |
>| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
>---------------------------------------------------------
>
>Note: Electronic Mail is not secure, has no guarantee of delivery, may not
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>
>
>
>
>
>
>
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Received on Wed Aug 07 2013 - 11:00:05 PDT
