One comment on this update: this is much larger (13 MB compressed) than any
other patch released so far. Therefore, you should expect the configure
stage to take several minutes querying and downloading the available
updates, depending on your connection speed (and do not be concerned if it
seems like configure doesn't initially recognize bugfix.9 for Amber; it
will still be applied).
All the best,
Jason
On Mon, Sep 3, 2012 at 4:52 PM, Ross Walker <ross.rosswalker.co.uk> wrote:
> 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 |
> ---------------------------------------------------------
>
> Note: Electronic Mail is not secure, has no guarantee of delivery, may not
> be read every day, and should not be used for urgent or sensitive issues.
>
>
>
>
>
>
>
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> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon Sep 03 2012 - 06:30:02 PDT
