GPUGRID

User avatar
Gavin Shaw
Chaotic Member
Posts: 2514
Joined: Wed Oct 24, 2007 6:08 am
Location: Australia / Earth Orbit

Re: GPUGRID

Post by Gavin Shaw » Wed Feb 17, 2010 2:07 am

16 Feb 2010:

We are happy to announce that another set of scientific results was accepted today for publication. This is related to the jobs you have been running for months called *SH2*. Congratulations and thanks to everyone:
I. Buch, M. J. Harvey, T. Giorgino, D. P. Anderson and G. De Fabritiis, High-throughput all-atom molecular dynamics simulations using distributed computing, in press J. Chem. Inf. and Mod. (2010).
PDF
gdf
This signature comment has been censored by the ACMA as being politically inconvenient.

No Australian Government Internet Filter

Image

Image Image

User avatar
Gavin Shaw
Chaotic Member
Posts: 2514
Joined: Wed Oct 24, 2007 6:08 am
Location: Australia / Earth Orbit

Re: GPUGRID

Post by Gavin Shaw » Sat Feb 20, 2010 1:28 am

19 Feb 2010:

We are already working on an optimized version of the protocol that will appear in the Journal of Chemical Information and Modelling as announced some days ago.
So far, they look very promising.
More WUs for the new application are already out!
This signature comment has been censored by the ACMA as being politically inconvenient.

No Australian Government Internet Filter

Image

Image Image

User avatar
Gavin Shaw
Chaotic Member
Posts: 2514
Joined: Wed Oct 24, 2007 6:08 am
Location: Australia / Earth Orbit

Re: GPUGRID

Post by Gavin Shaw » Thu Feb 25, 2010 11:03 pm

25 Feb 2010:

We are doing a test of high-throughput production for a very small batch of WUs (29) named *challenge*.
If you are lucky to get one, please prioritize them over the next 24h only.
Many thanks.
This signature comment has been censored by the ACMA as being politically inconvenient.

No Australian Government Internet Filter

Image

Image Image

User avatar
Gavin Shaw
Chaotic Member
Posts: 2514
Joined: Wed Oct 24, 2007 6:08 am
Location: Australia / Earth Orbit

Re: GPUGRID

Post by Gavin Shaw » Fri Mar 05, 2010 11:56 pm

05 Feb 2010:

GPUGRID will be the essential computational tool in a national publicly funded project (TV3-Marato) on Schizophrenia. The aims of the project is to perform in-silico modelling of antipsychotic drug actions. One of the previous task group called *JAN* were already starting to study this problem. Thanks in advance to all volunteers and stay tuned for updates.
GDF
This signature comment has been censored by the ACMA as being politically inconvenient.

No Australian Government Internet Filter

Image

Image Image

User avatar
Gavin Shaw
Chaotic Member
Posts: 2514
Joined: Wed Oct 24, 2007 6:08 am
Location: Australia / Earth Orbit

Re: GPUGRID

Post by Gavin Shaw » Fri Mar 12, 2010 11:22 pm

11 Mar 2010:

We have a backlog of 3352 workunits to be grabbed, help needed to complete them.
GPUGRID team
This signature comment has been censored by the ACMA as being politically inconvenient.

No Australian Government Internet Filter

Image

Image Image

User avatar
Gavin Shaw
Chaotic Member
Posts: 2514
Joined: Wed Oct 24, 2007 6:08 am
Location: Australia / Earth Orbit

Re: GPUGRID

Post by Gavin Shaw » Fri Apr 23, 2010 12:55 am

22 Apr 2010:

A new publication with the title "Distributed computing as a virtual supercomputer: tools to run and manage large-scale BOINC simulations" by GPUGRID scientists and developers Toni Giorgino, Matt Harvey and Gianni De Fabritiis, has been accepted for publication in the journal of Computer Physics Communications (DOI: 10.1016/j.cpc.2010.04.007) pdf. Scientists at GPUGRID have been using RBoinc already for a year and has proved to be a very safe and useful tool to manage work-flows in high-throughput experiments. RBoinc is already in the official BOINC source repository.
This signature comment has been censored by the ACMA as being politically inconvenient.

No Australian Government Internet Filter

Image

Image Image

User avatar
Gavin Shaw
Chaotic Member
Posts: 2514
Joined: Wed Oct 24, 2007 6:08 am
Location: Australia / Earth Orbit

Re: GPUGRID

Post by Gavin Shaw » Sat Apr 24, 2010 4:30 am

23 Apr 2010:

We have just received the first two Fermi card (GTX480 and GTX470). We are now installing it, stay tuned for a performance update.

gdf
This signature comment has been censored by the ACMA as being politically inconvenient.

No Australian Government Internet Filter

Image

Image Image

User avatar
Gavin Shaw
Chaotic Member
Posts: 2514
Joined: Wed Oct 24, 2007 6:08 am
Location: Australia / Earth Orbit

Re: GPUGRID

Post by Gavin Shaw » Fri May 07, 2010 12:26 am

06 May 2010:

After some beta testing the application is now available.
This signature comment has been censored by the ACMA as being politically inconvenient.

No Australian Government Internet Filter

Image

Image Image

User avatar
Gavin Shaw
Chaotic Member
Posts: 2514
Joined: Wed Oct 24, 2007 6:08 am
Location: Australia / Earth Orbit

Re: GPUGRID

Post by Gavin Shaw » Sat May 15, 2010 8:39 am

14 May 2010:

Following recent discovery of the wide-open conformation of HIV-1 protease ( which can be found here: http://tinyurl.com/wohiv), we have sent some WUs to further investigate conformations of this enzyme. After initial testing we anticipate a large increase in the number of these WUs.
This signature comment has been censored by the ACMA as being politically inconvenient.

No Australian Government Internet Filter

Image

Image Image

User avatar
Gavin Shaw
Chaotic Member
Posts: 2514
Joined: Wed Oct 24, 2007 6:08 am
Location: Australia / Earth Orbit

Re: GPUGRID

Post by Gavin Shaw » Sat May 22, 2010 2:45 am

21 May 2010:

The new even faster applications are now used for all the production runs. Fermi cards are also supported for Linux and Windows by the CUDA3.0 versions.

GDF
This signature comment has been censored by the ACMA as being politically inconvenient.

No Australian Government Internet Filter

Image

Image Image

User avatar
Gavin Shaw
Chaotic Member
Posts: 2514
Joined: Wed Oct 24, 2007 6:08 am
Location: Australia / Earth Orbit

Re: GPUGRID

Post by Gavin Shaw » Wed Jun 09, 2010 1:19 am

08 Jun 2010:

In an effort to give the "Ultimate Explanation" of what is MD to the non-initiated, a couple of scientists (50% belonging to the GPUGRID team) made a short movie in the context of a visual storytelling course at the science park we work in. We hope you enjoy it:
This signature comment has been censored by the ACMA as being politically inconvenient.

No Australian Government Internet Filter

Image

Image Image

User avatar
Gavin Shaw
Chaotic Member
Posts: 2514
Joined: Wed Oct 24, 2007 6:08 am
Location: Australia / Earth Orbit

Re: GPUGRID

Post by Gavin Shaw » Tue Jun 15, 2010 7:09 am

14 Jun 2010:

The article K. Sadiq and G. De Fabritiis,Explicit solvent dynamics and energetics of HIV-1 protease flap-opening and closing, is now in press in the journal Proteins.

The work shows by means of MD simulations running on GPUGRID, several possible conformations of the HIV protease, a common target of anti-HIV drugs. In particular it was possible to release a new wide-open conformation which could present a possible useful target for new drugs.

Thanks everybody for donating their GPU computer time. The work units were called *HIV*.

A movie is also available at: Movie

A copy of the paper is available at: Paper
This signature comment has been censored by the ACMA as being politically inconvenient.

No Australian Government Internet Filter

Image

Image Image

User avatar
Gavin Shaw
Chaotic Member
Posts: 2514
Joined: Wed Oct 24, 2007 6:08 am
Location: Australia / Earth Orbit

Re: GPUGRID

Post by Gavin Shaw » Tue Jun 29, 2010 10:36 pm

29 Jun 2010:

In the next few days we will update the Fermi applications to CUDA3.1. If you have a Fermi card, please update your drivers to at least 257.21 for Windows and 256.35 for Linux. No action is required from users with other cards.
This signature comment has been censored by the ACMA as being politically inconvenient.

No Australian Government Internet Filter

Image

Image Image

User avatar
Gavin Shaw
Chaotic Member
Posts: 2514
Joined: Wed Oct 24, 2007 6:08 am
Location: Australia / Earth Orbit

Re: GPUGRID

Post by Gavin Shaw » Thu Jul 01, 2010 1:35 am

30 Jun 2010:

In the next few days, we will replace the cuda3 application with a cuda3.1 application. This might not work on older drivers, so please update to the latest Nvidia drivers.

The CUDA3.0 application will be simply removed as there are many problems in the CUDA3.0 release that have been solved in CUDA3.1.

gdf
This signature comment has been censored by the ACMA as being politically inconvenient.

No Australian Government Internet Filter

Image

Image Image

User avatar
Gavin Shaw
Chaotic Member
Posts: 2514
Joined: Wed Oct 24, 2007 6:08 am
Location: Australia / Earth Orbit

Re: GPUGRID

Post by Gavin Shaw » Thu Jul 01, 2010 1:37 am

30 Jun 2010:

We have uploaded the new CUDA3.1 application for Windows. It is given only to users who accept beta work. It will be released officially in the next few days for everybody.
The CUDA3.0 application is still active for now.

gdf
This signature comment has been censored by the ACMA as being politically inconvenient.

No Australian Government Internet Filter

Image

Image Image

User avatar
Gavin Shaw
Chaotic Member
Posts: 2514
Joined: Wed Oct 24, 2007 6:08 am
Location: Australia / Earth Orbit

Re: GPUGRID

Post by Gavin Shaw » Sun Jul 04, 2010 1:25 am

02 Jul 2010:

A part for being faster for some workunits, it also solves the long standing bug of some older GTX260 cards.
You need a CUDA3.1 driver to download the cuda31 application.
(Windows only)
gdf
This signature comment has been censored by the ACMA as being politically inconvenient.

No Australian Government Internet Filter

Image

Image Image

User avatar
Gavin Shaw
Chaotic Member
Posts: 2514
Joined: Wed Oct 24, 2007 6:08 am
Location: Australia / Earth Orbit

Re: GPUGRID

Post by Gavin Shaw » Wed Jul 07, 2010 3:26 am

06 Jul 2010:

A PhD position is available to work on
"Molecular modelling of receptor dimerisation - a physical phenomenon with high relevance for schizophrenia" at GPUGRID.
More information available at: http://multiscalelab.org/Jobs?action=At ... sition.pdf

Please distribute the PDF of the position to reach maximum audience.

gdf
This signature comment has been censored by the ACMA as being politically inconvenient.

No Australian Government Internet Filter

Image

Image Image

Post Reply

Return to “GPUGrid / PS3Grid”