I am running the following script to change the name by which I call my GROMACS command from gmx to gmx_196g. The script employs CMake:
cd gromacs-2019.6/build_stage3/ suffix=196g install_path=/home/my_username/software/gmx_2019/.local OPTFLAGS="-Ofast -mtune=broadwell" cmake3 .. -DCMAKE_BUILD_TYPE=Release \ -DCMAKE_C_COMPILER=icc -DCMAKE_C_FLAGS_RELEASE="$OPTFLAGS" \ -DCMAKE_CXX_COMPILER=icpc -DCMAKE_CXX_FLAGS_RELEASE="$OPTFLAGS" \ -DGMX_MPI=ON -DGMX_OPENMP=ON \ -DGMX_GPU=CUDA -DGMX_CUDA_TARGET_SM=60 \ -DGMX_SIMD=AVX2_256 -DGMX_DOUBLE=OFF \ -DGMX_FFT_LIBRARY=mkl \ -DGMX_DEFAULT_SUFFIX=OFF -DGMX_BINARY_SUFFIX=_${suffix} -DGMX_LIBS_SUFFIX=_${suffix} \ -DCMAKE_INSTALL_PREFIX=${install_path} make -j 8 make install cd ../../ However, I am receiving this error:
CMake Error: The source directory "/home/my_username/software/gmx_2019/gromacs-2019.6/build_stage3/ -DGMX_FFT_LIBRARY=mkl" does not exist. Specify --help for usage, or press the help button on the CMake GUI. make: *** No rule to make target 'make'. Stop. Why is the error highlighting -DGMX_FFT_LIBRARY=mkl and my source directory? I am confused as to why this is happening... Any advice you have would be appreciated!
