True. It turns out that only C:\CUDA\bin64 was in the path (since it is 64-bit Windows) whereas OpenMMCUDA.dll still uses the 32-bit dll files (found in C:\CUDA\bin) so it has to be set manually using command prompt.

<t>Thank you. I think the second case is true. Dependency Walker says that there are two files : CUDART32_31_9.DLL and CUFFT32_31_9.DLL that are missing. So I found these dlls and copied them to C:\Zephyr\bin\win32\lib\openmm\auto. I also copied the latest OpenMMCuda.dll from OPenMM2.0 because the e...

Yes it is lib not lin. Sorry about that. OPENMM_PLUGIN_DIR points to C:\Zephyr\bin\win32\lib\openmm\nvidia that contains OpenMMCuda.dll and it doesn't work. On the other hand, if it points to C:\Zephyr\bin\win32\lib\openmm\opencl that contains OpenMMOpenCL.dll, it works just fine.

<t>- GPU: NVIDIA GeForce 9600 GT<br/> - The simulations takes Platform: OpenCL by default<br/> - Running deviceQuery from GPU Computing Browser gives:<br/> <br/> C:\ProgramData\NVIDIA Corporation\NVIDIA GPU Computing SDK\C\bin\win64\Release\d<br/> eviceQuery.exe Starting...<br/> <br/> CUDA Device Qu...

Update:
When I change the environment variable to point to OpenCL, it works. But, it doesn't work for CUDA.

What could be the reason behind it?

Thanks,
Shashi

<t>Hi,<br/> I am trying to use mdrun_openmm.exe (found in Zephyr install) from command line on 64-bit Windows 7. I have added the environment variables as mentioned in Chapter 5 of the Zephyr manual as follows:<br/> <br/> set GMXLIB=C:\Zephybin\gmxlib<br/> PATH=C:\Zephyr\bin\win32;%PATH%<br/> set OP...