Dear Caterina,
You told Robert to compile the code in parallel (a strong parallelization of the code will make those calculations more affordable). What do you mean by "a strong parallelization of the code"? . I compile the code In the form of mpi, and when I use the command "time excitingmpi", I do not get involved with all my cores. Because my structure has too many atomic numbers, my time calculations are too long. Can you guide me to find my mistake? I want the system to use all the cores for its calculations.
thanks you,
Sahel loushab