Dear Siesta Users and Developers,
First, HAPPY NEW YEAR to you! Second, I have compiled siesta-4.1-b4 with support both openmp and mpi. I am interested to check the performance gain on a two-sockets four-cores per socket box the following command: <<mpirun --map-by ppr:1:socket:pe=4 -x OMP_NUM_THREADS=4 -x OMP_PROC_BIND=true siesta RUN.fdf>> The compilation is done using intel compiler 2017. However, it complains about the "--map-by" switch. I would be grateful if you could please help to manage it. Best regards, Mahmoud Payami