simtk.org

Hello all,

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 . Can anyone help?

Also, I was wondering when the ATI Libraries for Linux might be available? I have an ATI card sitting idle at the moment, and I'd love to try it out.

Thanks for your time

Hi Blaze,

Just move the OpenMMCuda library out of gromacs/lib/openmm. That's where it loads plugins from.

Be aware that the reference platform is very slow. It exists to be a reference for writing other platforms, so we have intentionally avoided making any optimization to it that would in any way reduce the clarity of the code.

Peter

Hi Blaze,

One way to force the reference code to be used is to rename or move the OpenMMCuda.dll file.

We are waiting for the ATI Linux libs from AMD. I am hoping we will get them in the next week or so. We would then need some time to test them. So we should be able to post them in a few weeks.

Thanks for your help, and I look forward to it.