Hi, gromacs users I have installed a CUDA version of Gromacs 2016.3 with the newst Nvidia 1080Ti graphic card. The installation goes well and I see GPU support CUDA in version info of Gromacs. However, I see a NOTE saying "Error occurred during GPU detection: no CUDA-capable device is detected. Can not use GPU acceleration, will fall back to CPU kernels."
I am quite sure that card is set on my machine, which can be firmed by /dev/nvidia0. Also I can see the card stat with command "nvidia-smi". So I am really comfused of the problem. Why gromacs can not recognize 1080Ti graphic card. Thank you for your generous help in advance! -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
