Re: [AMBER] Announcement: Major GPU Update

From: Ross Walker <ross.rosswalker.co.uk>
Date: Mon, 03 Sep 2012 14:23:16 -0700

Hi Ye,

As long as you are running the latest driver and CUDA v4.2 you should not
have any trouble mixing Kepler and Fermi cards. There are some issues with
SM v1.3 cards (you have to manually build the SPDP precision model for
these cards while v2.0 and later use the new SPFP model).

All the best
Ross



On 9/3/12 6:13 AM, "Ye MEI" <ymei.itcs.ecnu.edu.cn> wrote:

>Dear Ross,
>
>Thank you very much for the update.
>But I have one question. Will I have any problem with this new patch if I
>have both K10 and C2050 installed in one box?
>
>Best regards,
>
>Ye
>2012-09-03
>
>
>From: Ross Walker
>Date: 2012-09-03 20:53:45
>To: AMBER Mailing List
>CC:
>Subject: [AMBER] Announcement: Major GPU Update
>
>Dear all,
>I just wanted to bring to your attention that we have released a long
>awaited update to the AMBER 12 GPU code. This update primarily brings
>Kepler and GTX6XX support to the AMBER 12 GPU code but also includes a
>number of additional updates, enhancements and minor bug fixes. Released
>as bugfix.9 this specifically includes:
> i) Support for Kepler K10 and GTX6XX GPUs
> ii) New high performance, lower memory footprint hybrid fixed
>precision model: SPFP
> iii) Support for REMD using 1 GPU per replica.
> iv) Various bugfixes for aMD and IPS simulations.
> v) Tweaks to igb=5 GB model to bring it in line with original paper
>and NAB implementation.
> vi) Support for GPU accelerated NMR restraints.
> vii) Improved serial performance.
> viii) Reduced memory footprint.
> ix) More comprehensive test suite.
> x) Adds deterministic operation irrespective of GPU core count.
>This bugfix will be automatically applied when $AMBERHOME/configure is
>run. Hence you should rebuild the GPU code in order to activate this
>update. Please note this update requires NVCC v4.2. Unfortunately there
>was no way to avoid this and maintain backwards compatibility with earlier
>versions of the NVIDIA toolkit.
>All the best
>Ross
>/\
>\/
>|\oss Walker
>---------------------------------------------------------
>| Assistant Research Professor |
>| San Diego Supercomputer Center |
>| Adjunct Assistant 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 |
>---------------------------------------------------------
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Received on Mon Sep 03 2012 - 06:30:04 PDT
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