Re: [gmx-users] testing Gromacs 4.6 (git version) on GPUs

2012-10-31 Thread Susan Chacko
Thank you! Yes, I am able to run the 'dhfr-solv-PME.bench' benchmark with mdrun -s topol.tpr -testverlet and it seems to be using the GPUs as well: --- 2 GPUs detected: #0: NVIDIA Tesla M2050, compute cap.: 2.0, ECC: yes, stat: compatible #1: NVIDIA Tesla M2050, compute cap.: 2.0, ECC: yes,

Re: [gmx-users] testing Gromacs 4.6 (git version) on GPUs

2012-10-31 Thread Roland Schulz
Hi, you can use the tpr files from the tgz if you use the non-implicit "solv" (preferable PME) test. Roland On Wed, Oct 31, 2012 at 10:37 AM, Susan Chacko wrote: > > Hi all, > > I wanted to test the built-in support in Gromacs 4.6 (non-OpenMM) for GPUs. > I downloaded the latest git version an

[gmx-users] testing Gromacs 4.6 (git version) on GPUs

2012-10-31 Thread Susan Chacko
Hi all, I wanted to test the built-in support in Gromacs 4.6 (non-OpenMM) for GPUs. I downloaded the latest git version and it built successfully, appears to link the right CUDA libraries etc. I tried testing it with the Gromacs GPU benchmark suite (http://www.gromacs.org/@api/deki/files/128/=

[gmx-users] testing gromacs installation gmx-4.0.4; failures; success?

2009-04-17 Thread Y. U. Sasidhar
Dear users, We have installed gmx 4.0.4 ( single precision, on cent os 4.3 ( 32 bit ) on quad core dual xeon machine ( clock 2 GHz ) Installation directions as given on the site followed. And the tests are run using the perl script provided plus test files/folders. We find many failures ( s

Re: [gmx-users] Testing Gromacs

2007-05-21 Thread Stéphane Téletchéa
Kedar Potdar a écrit : Hi all, I could build Gromacs successfully on Linux system and now I would like to test it. So is there a way to test Gromacs? Does the Gromacs package come with basic test suites? I couldn't find anything pertaining to testing on the Gromacs' site. Help in this r

Re: [gmx-users] Testing Gromacs

2007-05-18 Thread David van der Spoel
Kedar Potdar wrote: Hi all, I could build Gromacs successfully on Linux system and now I would like to test it. So is there a way to test Gromacs? Does the Gromacs package come with basic test suites? I couldn't find anything pertaining to testing on the Gromacs' site. Help in this rega

[gmx-users] Testing Gromacs

2007-05-18 Thread Kedar Potdar
Hi all, I could build Gromacs successfully on Linux system and now I would like to test it. So is there a way to test Gromacs? Does the Gromacs package come with basic test suites? I couldn't find anything pertaining to testing on the Gromacs' site. Help in this regard will be highly appreciated