Abinit9

Production version is 9.10.3

module load intel/21.7.0 mkl/21.3.0 impi/19.0.9 hdf5/ts/1.10.8 netcdf-c-2/4.9.0 netcdf-f-2/4.6.0 libxc-2/6.0.0 wannier90-2/3.1.0 omp/1 abinit/9.10.3

Run times with a sample problem on pairs of different CPUs. In each case OMP_NUM_THREADS=1 and MPI processes=physical cores is preferred.

CPU                         MPI     OMP  Elapsed
Xeon E5-2650V4,2x12 core     12       2      297
Xeon E5-2650V4,2x12 core     24       1      149
Xeon Gold 6130,2x16 core     16       2      190
Xeon Gold 6130,2x16 core     32       1      101
AMD Epyc 7543,2x32 core      16       4      102
AMD Epyc 7543,2x32 core      32       2       56
AMD Epyc 7543,2x32 core      64       1       45
AMD Epyc 9454,2x48 core      24       4       48
AMD Epyc 9454,2x48 core      48       2       34
AMD Epyc 9454,2x48 core      96       1       25