[gmx-users] Cuda not detected

[Andrzej Rzepiela]

Hey,

I am playing with the gpu version of mdrun and could make it run with:

~/gromacs/gpu/bin/mdrun-gpu -s topol.tpr -device  
"OpenMM:platform=Cuda,memtest=15,deviceid=0,force-device=yes"

However after reboot of the machine ( which is a testing machine)

I get the following error:


-------------------------------------------------------
Program mdrun-gpu, VERSION 4.5.5
Source code file: /home/weber/gromacs/gromacs-4.5.5_gpu/src/kernel/ 
openmm_wrapper.cpp, line: 1272

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


echo $LD_LIBRARY_PATH:/opt/software/ganglia-3.1.7/lib64:/opt/software/ 
htop-0.8.3:/usr/local/cuda/lib64:/usr/local/cuda/lib:/home/weber/ 
OpenMM3.1.1-Linux64/lib

echo $PATH/usr/local/bin:/usr/bin:/bin:/usr/X11R6/bin:/usr/games:/usr/ 
lib64/jvm/jre/bin:/opt/software/nvidia/3.2.16/cuda/bin:/opt/software/ 
ganglia-3.1.7/bin:/opt/software/htop-0.8.3/bin:/usr/lib/mit/bin:/usr/ 
lib/mit/sbin:.:/usr/local/cuda/bin:/home/weber/cmake-2.8.6/bin


I run a simple gpu test program and it  works.

I believe something is not linked correctly, maybe someone can give me  
a hint.

Thank You

Andrzej