Search found 3 matches

by Blaze Kore
Sun Feb 22, 2009 5:12 pm
Forum: OpenMM
Topic: Running mdrun_openmm from the command line
Replies: 3
Views: 830

RE: Running mdrun_openmm from the command line

Thanks for your help, and I look forward to it.
by Blaze Kore
Sun Feb 15, 2009 6:02 pm
Forum: OpenMM
Topic: Running mdrun_openmm from the command line
Replies: 3
Views: 830

Running mdrun_openmm from the command line

<r>Hello all,<br/> <br/> I'm interested in running the OpenMM CPU reference library for comparison with the CUDA library, but I can't work out how to specify one over the other. I tried hiding the CUDA runtime libraries (export LD_LIBRARY_PATH=''), but it found them anyway <E>:)</E>. Can anyone help...
by Blaze Kore
Mon Feb 09, 2009 5:00 pm
Forum: OpenMM
Topic: Trouble getting openMM/Gromacs working
Replies: 11
Views: 2270

RE: Trouble getting openMM/Gromacs working

<t>If you type 'file <name of binary>' you can see that they're 32-bit. They should still work though, if you install the 32-bit libraries.<br/> <br/> I think it's still only CUDA for Linux, so if you want to use the graphics acceleration you'll need to install the 32-bit CUDA toolkit and sdk as wel...