Timing in hours for MbCO + 3830 water molecules (14026 atoms), 1000 steps, 12-14 A shift using standard parallel CHARMM and executed on variety of machines. Input files are available here.

Nodes               1      2      4      8      16     32     64    128    256    512 

VRANA-6(K7/1.6GHz) 0.22 0.11 0.060 0.034 0.022 VRANA-4(K7/0.7GHz) 0.55 0.29 0.16 0.096 0.059 0.046 MD Grape-II 0.127(1board) 0.085(2boards) (no cutoff, host=5.02h) Dolly 0.32 0.18 0.11 0.073 0.054 Athlon/1.33GHz 0.27 0.14 (no cutoff=5.51; finite ewald=1.78) LoBoS-2 1.12 0.58 0.31 0.17 HP/735 2.93 1.49 0.78 0.48
Cray-T3E 1.47 0.73 0.37 0.18 0.094 0.054 0.034 0.025 Convex CSPP-2000 1.32 0.63 0.32 0.17 0.093 0.059 0.043 SGI-Origin 1.19 0.17 0.095 0.055 Cray-T3D 0.77 0.40 0.21 0.13 0.086 0.068 Cray-C90 0.51 0.263 0.14 0.074 IBM/SP2 1.99 1.02 0.51 0.26 0.16 HAL/Sun U-II 1.23 0.63 0.35 0.17 0.098 Intel Paragon 14.37 1.92 0.98 0.52 0.29 0.18 0.14 0.098 Intel Delta 0.17 0.13 DEC-ES40(EV67) 0.382 0.194 0.096 TERRA 5.03 1.00 0.505 0.27 0.15 IBM/SP1 6.55 3.42 1.78 0.96 0.59 0.28 0.22 0.19 CM-5E 2.24 0.32 0.20 SGI P. Challenge 2.88 1.46 0.78 0.38 0.21 SGI/R10000 1.61 0.82 0.42 0.22 Convex CSPP-1000 2.50 1.27 0.69 0.39 0.22 Intel Gamma 20.72 10.49 5.31 2.66 1.37 0.73 0.42 0.26 CM-5 6.10 0.90 0.63 0.42 0.30 Cray-J90 2.00 1.038 0.565 0.343 PentiumII/400 1.03 PentiumII/333 1.31 0.689 PentiumPro 2.04 1.05 HP-J200 2.63 1.39
Cray Y-MP 1.01 Convex - 3 3.11
HP/C180 1.24 IBM-560 7.45

This page is:<http://www.sicmm.org/parallel/summary.html Created by milan@cmm.ki.si (Milan Hodoscek)