GROMACS version: 2021.4
GROMACS modification: No
For some reason, I cannot install gromacs with options -
cmake … -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON
unable to download automatically due to firewall restrictions. I want to install gromacs after first manually installing fftw3 library.
I have fftw-3.3.8.tar.gz file.
I tried below install for fftw3.
./configure --enable-float --enable-sse2 --enable-avx --enable-avx2
then I am trying to give location of fftw3 install, mine is at /usr/local/bin/
Gromacs may be looking for libfftw3f.so file, as they have given example of setting path as -DFFTWF_LIBRARY=’/path/to/libfftw3f.so’
But my path (/usr/local/bin/) has only one file - fftwf-wisdom
gromacs doesn’t accept this file.
Can anyone give sequence of command for gromacs installation using fftw3 manual install on PC.