Below are shown speedups for MPQC MP2 calculations of the uracil dimer binding energy using the aug-cc-pVQZ basis set (1648 basis functions, C1 symmetry) on the ASC White machine. Speedups are relative to 256 processors.
Below is the speedup with respect to the wall time on one node as a function of the number of nodes utilized in a parallel computation of valence aug-cc-pCVTZ/K2-- MP2-R12/A' energy of benzene molecule. SLB and DLB refer to static and dynamic load balancing, respectively.
Below is the parallel efficiency as a function of the number of nodes for the above test case.