GROMACS version: 2022
GROMACS modification: No
Here post your question
Dear Gromacs Users,
I tried to install gromacs 2022 version on Ubundu 20.04 with GPU supported.
versions of auxiliary tools
cmake version 3.16.3
I did following steps,
wget ftp://ftp.gromacs.org/pub/gromacs/gromacs-2022.tar.gz
tar xfz gromacs-2022.tar.gz
cd gromacs-2022
mkdir build
cd build
cmake … -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_BUILD_TYPE=Release -DGMX_BUILD_UNITTESTS=ON -DGMX_PREFER_STATIC_LIBS=ON -DGMX_BUILD_SHARED_EXE=OFF -DGMX_X11=OFF -DGMX_EXTERNAL_BLAS=OFF -DGMX_EXTERNAL_LAPACK=OFF -DGMX_SIMD=NONE -DGMX_GPU=ON
I got following error
I also tried with DGMX_GPU=CUDA , and I could installed , but GPU not supported.
Can anyone support me to install gromacs supported by GPU ?
Thank you in advance !
Kalindu