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

jesmin jahan shraban03 at gmail.com
Thu Aug 23 20:10:23 CEST 2012

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.


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

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