[gmx-developers] Unable to build with double precision switch
nt_mahmood at yahoo.com
Fri Oct 11 12:10:50 CEST 2019
Thanks. I thought general list is about gromacs/molecular logistics.
On Friday, October 11, 2019, 1:27:29 PM GMT+3:30, Jernej Zidar <jernej.zidar at gmail.com> wrote:
The message says it all: double precision with GPU is not supported. There's almost no reason to use double precision for normal MD.
On Fri, 11 Oct 2019 at 17:47, Mahmood Naderan <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?
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