[gmx-users] Problem with "The requested platform "CUDA" could not be found"

[jesmin jahan]

Dear Friends,

I have download the pre-compiled binary version of openmm4.1.1 form
https://simtk.org/. It is the precompiled OpenMM libraries for 64 bit
Linux supported on NVIDIA GPUs with CUDA Toolkit 4.1 and on AMD GPUs
with APP SDK 2.4.

I have compiled Gromacs 4.5.5 with cuda 4.1 and linked with this
pre-compiled library.

export PATH=$PATH:/home1//OpenMM4.1.1-Linux64/OpenMM4.1.1-Linux64
export OPENMM_ROOT_DIR=/home1//OpenMM4.1.1-Linux64/OpenMM4.1.1-Linux64
export OPENMM_PLUGIN_DIR=/home1//OpenMM4.1.1-Linux64/OpenMM4.1.1-Linux64/lib/plugins
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/home1//OpenMM4.1.1-Linux64/OpenMM4.1.1-Linux64/lib

But If I run mdrun-gpu with some .tpr file, I get the following error
--------------------------------------------------------------------------------------------------------------------------
Program mdrun-gpu, VERSION 4.5.5-dev
Source code file:
/home1/01945/jesmin/gromacs/src/kernel/openmm_wrapper.cpp, line: 1272

Fatal error:
The requested platform "CUDA" could not be found.
---------------------------------------------------------------------------------------------------------------------------------------

I saw in gromacs users email archive that lots of people has faced
similar kind of problem and the most probable reason is "mismatching
cuda version for openmm and Gromacs". But I think for my case, I am
using the same version.

what else might go wrong. If there is anyone who knows about the
problem, please reply me.

Thanks,
Jesmin

-- 
Jesmin Jahan Tithi
PhD Student, CS
Stony Brook University, NY-11790.