GROMACS modification: No
I installed GROMACS 2021.5 on iMac M1 based on the installation steps in the manual.
I used these flags with cmake
cmake … -DGMX_BUILD_OWN_FFTW=OFF -DCMAKE_INSTALL_PREFIX=/Users/marzouk/packages/gromacs/2021.5 -DGMX_GPU=OpenCL
I wanted to use the GPU of Mac in combination with CPU for that reason I used Open
after installation gmx running with only CPU and I detected the GPU but not compatible as in this message
how can I use the GPU? Should I install again and define something in cmake?
This is the code I used to define the cores
gmx mdrun -v -deffnm nvt -ntomp 1 -ntmpi 6