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)