Timing in seconds for MbCO + 3830 water molecules (14026 atoms), 1000 steps
12-14 A shift on Cray T3E.
Nodes time (h) Speedup
2 1.48 2
4 0.73 4.05
8 0.367 8.065
16 0.181 16.39
32 0.095 31.22
64 0.0537 55.15
128 0.0337 87.91
256 0.025 118.40
This table was made by M. Hodoscek at CEA, Saclay, Paris and with
CHARMM c25a3 using EXPAND keyword in pref.dat when compiling and
SCALAR OFF command in the input script.
The communication was paral2.src routines using PVM send/receive. MPI
is 4 times slower!
The machine has clock speed of 375 MHz.