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
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