[LA-SiGMA-gpu] Fwd: namd-l: Nvidia GPUs

[Jon Saposhnik]

Hi All,

Adding in Mark Berger from NVIDIA .  Mark works with the Computational Chemistry ISV's.
Mark can answer NAMD questions.

As to Tesla versus GTX:  Tesla is Server GPU product line w. enhanced set of Hardware and Software functionality features plus additional support.
This deck has some comparison for GTX Titan to Tesla K20/K20X.
https://docs.google.com/file/d/0B2MSwnI8sm0nWWdLc0t4N1FscDQ/edit?usp=sharing

Tier 1 HPC Server vendors  presently don't qualify nor support GTX Cards in their Servers , though you may not care. (HP, DELL, IBM, SGI, CRAY)

I'd think one would want to run their own reliability and benchmark suites over long periods of time should they care to scientificaly know if GTX (Titan or 700 series) cards are acceptable for their Heterogenous cluster use.


Regards,

Jon Saposhnik
NVIDIA Industry Business Development
Higher Education and Research
Jsaposhnik at NVIDIA.com
949.212.6491 Cell

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From: Jian Tao <jtao at cct.lsu.edu<mailto:jtao at cct.lsu.edu>>
Date: Tuesday, August 20, 2013 8:17 PM
To: "Thomas C. Bishop" <bishop at latech.edu<mailto:bishop at latech.edu>>
Cc: Jon Saposhnik <jsaposhnik at nvidia.com<mailto:jsaposhnik at nvidia.com>>, Jonathan Bentz <jbentz at nvidia.com<mailto:jbentz at nvidia.com>>, "lasigma-gpu at loni.org<mailto:lasigma-gpu at loni.org>" <lasigma-gpu at loni.org<mailto:lasigma-gpu at loni.org>>
Subject: Re: [LA-SiGMA-gpu] Fwd: namd-l: Nvidia GPUs

Hi Tom,

A GTX cluster could be very cost-effective for some applications.
I heard from a collaborator from the Poznan supercomputing and networking center (PSNC) in Poland that they did build a GTX cluster a couple years ago. I could check to see how things are working.

Some of us at CCT are collaborating with researchers from the Charm++ group in other projects. We know that their team is helping the NAMD group to port and optimize NAMD on GPUs. There have been a lot of work on GPUs lately though a lot of their own efforts are on high-end GPU cards mainly because they are actively involved in the Blue Waters project.

As you may have heard, LSU HPC will very soon make available a half million dollar Kepler cluster, Shelob. The LA-SiGMA project is one of the main science drivers of the Shelob proposal. You and other LA-SiGMA teams who are doing GPU related research shall have access to the system.
IMHO, effectively sharing such resources is economically better than hosting a personal cluster if cost is one of the major considerations. While the LSU GPU team might not help you much on NAMD itself, we will work together with LSU HPC to at least help your team to get started on the system once it is ready.

Regards,
Jian
-- From my phone (no network at home today)

On Aug 20, 2013, at 2:32 PM, "Thomas C. Bishop" <bishop at latech.edu<mailto:bishop at latech.edu>> wrote:

Jon and Jonathan and LASIGMA-gpu

There is great interest the  NAMD user community in using
gtx grade cards for personal clusters instead of Kepler/Tesla cards.
(see namd-l forward)

It would be of real interest to molec. modelers to have
benchmarks w/ diff cuda cards using NAMD's standard benchmark systems.
and specifically look for instances of HW failure , esp. memory failures, comparing gtx to server grade cards.

This would be something I could pursue w/ the LASiGMA/LSu GPU group.

Tom



-------- Original Message -------
Subject:        namd-l: Nvidia GPUs
Date:   Tue, 20 Aug 2013 14:27:28 -0400
From:   Thomas Albers <talbers at binghamton.edu><mailto:talbers at binghamton.edu>
To:     Namd Mailing List <namd-l at ks.uiuc.edu><mailto:namd-l at ks.uiuc.edu>



Dear List,

we are in the early stages of planning for a new cluster.  Would
anyone on this list have experience (and timing results) to share with
recent Nvidia GPUs (GTX 660Ti, GTX 680, GTX 7xx)?

Regards,
Thomas




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