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RMGDFT / rmgdft

RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density functional theory and uses a real space basis and pseudopotentials.
GNU General Public License v2.0
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make test fix #63

Closed elbriggs closed 4 years ago

elbriggs commented 4 years ago

When running make test the number of MPI procs used is set to 16 which can cause overcommitment of resources and poor performance on machines with fewer cores.

elbriggs commented 4 years ago

Tests updated to use Cmake ProcessorCount function to set the number of processors used.