[gmx-users] version 4.5.5 GPU with gtx670 and cuda 4.2

sebastian sebastian.waltz at physik.uni-freiburg.de
Mon Oct 29 15:03:27 CET 2012

Hey all together,

I try to run the 4.5.5 gpu version with the NVIDIA gtx670 cards.


mdrun-gpu -v -s bla.tpr -device

(diveceid=1 since I have two cards and want to use the second card).
I get the following error:

OpenMM exception caught while initializating: cudaMemcpyToSymbol: SetSim
copy to cSim failed invalid device symbol

The installed cuda version is 4.2 and the OpenMM version is 4.1.1

Since I have no idea whats going wrong any help is very welcomed

Thanks a lot


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