David, Thank you very much for the reply.
>The hardware does not support it yet AFAIK. Could you explain which hardware do you mean? As far as I know, K20X supports double precision, so I would assume that double precision GROMACS should be realizable on it. Thanks and regards, Mikhail >On 2013-04-09 18:06, Mikhail Stukan wrote: >> Dear experts, >> >> I have the following question. I am trying to compile GROMACS 4.6.1 with GPU >> acceleration and have the following diagnostics: >> >> # cmake .. -DGMX_DOUBLE=ON -DGMX_BUILD_OWN_FFTW=ON -DGMX_GPU=ON >> -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda -DCUDA_HOST_COMPILER=/usr/bin/gcc >> -DCUDA_PROPAGATE_HOST_FLAGS=OFF >CMake Error at cmake/gmxManageGPU.cmake:46 >> (message): >> GPU acceleration is not available in double precision! >> Call Stack (most recent call first): >> CMakeLists.txt:143 (include) >> >> Are there any plans to have double precision with GPU acceleration in the >> coming version of GROMACS or this will not happen in the >nearest future. >> >The hardware does not support it yet AFAIK. >> Thanks and regards, >> Mikhail >> >-- >David van der Spoel, Ph.D., Professor of Biology Dept. of Cell & Molec. Biol., >Uppsala University. >Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. >sp...@xray.bmc.uu.se<mailto:sp...@xray.bmc.uu.se> http://folding.bmc.uu.se Mikhail Stukan, Ph.D. Senior Research Scientist Schlumberger Dhahran Carbonate Research Center Dhahran Techno Valley - KFUPM P.O. Box 39011, Dammam/Doha Camp 31942 Kingdom of Saudi Arabia Tel: +966 3 331 6182 Fax: +966 3 330 0845 mstu...@slb.com<mailto:mstu...@slb.com> -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
