This page lists OCCAM performance on several benchmark problems.

MONOATOMIC FLUID SYSTEMS

Benchmarks of parallel MD-SCF program with speedup: 


a) MF1 (blue curves with squares) and MF2 (green curves with triangles). For both systems different update frequencies of 100 (empty symbols and dash dot lines) and 300 time steps (filled symbols and solid lines) have been considered.Ideal speedup (red line with circle)

b) Performances of parallel MD-SCF program as steps/s for MF3 system in comparison with GROMACS 4.5.4 (orange curve). Results of OCCAM using 39,304 lattice points (purple curves) and 238,328 lattice points (red curves) are shown.

Particle-field MD simulations, performed with OCCAM MD, have been done using update frequency of 100 time steps (empty symbols and dash dot lines) and 300 time steps (filled symbols and solid lines), respectively. 

SystemNo. of ParticlesNo. of lattice pointsBox size (nm3)
MF15000029x29x29 (24389)20.0×20.0x20.0
MF210000037x37x37 (50653)25.2×25.2×25.2
MF350000034x34x34 (39304)62x62x62 (238328)43.1×43.1×43.1

LIPID and ROD/COIL HOMOPOLYMERS MATRIX SYSTEMS

a) Lipid/water SLW1 (blue curves with squares) and SLW2 (green curves with triangles). For both systems different update frequencies of 100 (empty symbols and dash dot lines) and 300 time steps (filled symbols and solid lines) have been considered.Ideal speedup (red line with circle).

b) Rod/Coil Homopolymers mixture SRC1 (yellow curves with circles) and SRC2 (purple curves with triangles). For both systems different update frequencies of 100 (empty symbols and dash dot lines) and 300 time steps (filled symbols and solid lines) have been considered.Ideal speedup (red line with circle).

LARGE MONOATOMIC FLUID SYSTEMS

Parallel calculation efficiency have been tested. CPU time spent for 10000 step employing a large number of cores. Three different system sizes have been considered.