[gmx-developers] Unable to build with double precision switch

[David van der Spoel]

Den 2019-10-11 kl. 11:57, skrev Jernej Zidar:
> The message says it all: double precision with GPU is not supported. 
> There's almost no reason to use double precision for normal MD.
Please do not write such simplified statements. It depends on the model 
and the application.
> 
> On Fri, 11 Oct 2019 at 17:47, Mahmood Naderan <nt_mahmood at yahoo.com 
> <mailto:nt_mahmood at yahoo.com>> wrote:
> 
>     Hi,
>     With 2019.4 version, I get this error
> 
>     CMake Error at cmake/gmxManageGPU.cmake:50 (message):
>        GPU acceleration is not available in double precision!
> 
> 
>     in spite that I have specified these options:
> 
> 
>     cmake .. -DGMX_GPU=on -DGMX_BUILD_OWN_FFTW=ON
>     -DGMX_CUDA_TARGET_SM=52 -DGMX_DOUBLE=on
> 
> 
>     The device is M2000. Is that normal?
> 
> 
>     Regards,
>     Mahmood
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> 


-- 
David van der Spoel, Ph.D., Professor of Biology
Head of Department, Cell & Molecular Biology, Uppsala University.
Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.
http://www.icm.uu.se