CUDA, GPU and molecular dynamics programming


advanced search

Message boards : Leiden Classical : CUDA, GPU and molecular dynamics programming

Reply to this thread
Subscribe to this thread
Sort
AuthorMessage
Tommy User profile image
private message
Joined: Apr 21, 2006
Posts: 1
ID: 1156
Credit: 7,948
RAC: 0
Message 2167 - Posted 23 Jun 2008 13:49:23 UTC

Consulting on the internet i found the new language CUDA to programming and exploit the power of the Nvidia's GPU. In particular, it was developed HOOMD (highly optimized object oriented molecular dynamics) for calculating molecular dynamics. Here is material! (in the website are also examples of Lennard-Jones calculations). There are also the benchmark ... truly remarkable. It would be possible, with Boinc, write clients they could work via GPU addition to the classics exploiting the CPU? The gain in speed, for holders of GPU Nvidia, it would be very large! Thank you!
____________

m.somers User profile image
Forum moderator
Project administrator
Project developer
Project tester
Volunteer developer
Volunteer tester
Project scientist
Avatar
private message
Joined: Nov 14, 2005
Posts: 662
ID: 1
Credit: 1,417,572
RAC: 2
Message 2188 - Posted 15 Jul 2008 11:58:35 UTC

Hi,

tried contacting them people of HOOMD but I have had no reply yet...

m.
____________
M.F. Somers

Alexey
private message
Joined: May 24, 2009
Posts: 1
ID: 21447
Credit: 0
RAC: 0
Message 2416 - Posted 24 May 2009 18:21:04 UTC
Last modified: 24 May 2009 18:24:19 UTC

Hi,

There are few other MD implementations on CUDA.
For example:
VMD & NAMD
Ascalaph
AceMD



m.somers User profile image
Forum moderator
Project administrator
Project developer
Project tester
Volunteer developer
Volunteer tester
Project scientist
Avatar
private message
Joined: Nov 14, 2005
Posts: 662
ID: 1
Credit: 1,417,572
RAC: 2
Message 2421 - Posted 3 Jun 2009 7:04:35 UTC

I'll have a look... thanx...

m.

____________
M.F. Somers

Reply to this thread

Message boards : Leiden Classical : CUDA, GPU and molecular dynamics programming



Return to Leiden Classical main page


Copyright © 2017 Leiden University - Leiden Institute of Chemistry - Theoretical Chemistry Department