benchmark

Parallel Efficiency of ver 0.2.1

The parallel efficiency is measured at the T2K supercomputer in Tsukuba Univ.

Computer system information:

• Opteron 8356 4-sockets / node (16 cores / node)
• IB QDR interconnect

System setup:

• 7168 solute atoms
• 179820 water molecules (TIP3P)
• Reference system
• 512 snapshot frames (6.1GB)
• maxins = 1000

Results:

::::text
Cores    time        parallel eff.
1    337:39:16.61    100%
16    22:03:16.79    95.7%
32    11:03:50.72    95.4%
128    02:46:03.33    95.3%
256    01:23:32.35    94.7%
512    00:42:20.33    93.5%

Note:
1-core and 16-core results are extrapolated from the results with smaller numbers of snapshots.