超怪~我Linux跑玩一個case後又停了.....囧
各位前輩幫忙看一下這個Log檔有沒有透漏什麼訊息好嗎~~
[06:18:24] Completed 495000 out of 500000 steps (99 percent)
M E G A - F L O P S A C C O U N T I N G
Parallel run - timing based on wallclock.
RF=Reaction-Field FE=Free Energy SCFE=Soft-Core/Free Energy
T=Tabulated W3=SPC/TIP3p W4=TIP4p (single or pairs)
NF=No Forces
Computing: M-Number M-Flops % of Flops
-----------------------------------------------------------------------
VdW(T) 1366574.121495 73795002.560730 16.6
RF Coul 549570.072552 18135812.394216 4.1
RF Coul [W3] 2153.808188 211073.202424 0.0
RF Coul + VdW(T) 618617.680086 40210149.205590 9.1
RF Coul + VdW(T) [W3] 287321.323726 37351772.084380 8.4
RF Coul + VdW(T) [W3-W3] 767005.437740 245441740.076800 55.3
Outer nonbonded loop 241827.924990 2418279.249900 0.5
1,4 nonbonded interactions 1077.002154 96930.193860 0.0
NS-Pairs 502330.109011 10548932.289231 2.4
Reset In Box 3884.327685 34958.949165 0.0
Shift-X 77588.155176 465528.931056 0.1
CG-CoM 1770.935418 51357.127122 0.0
Sum Forces 116527.733055 116527.733055 0.0
Bonds 13330.526661 573212.646423 0.1
Angles 15690.531381 2557556.615103 0.6
Propers 5407.510815 1238319.976635 0.3
Impropers 1012.002024 210496.420992 0.0
RB-Dihedrals 14213.028426 3510618.021222 0.8
Virial 38896.577793 700138.400274 0.2
Update 38842.577685 1204119.908235 0.3
Stop-CM 38842.500000 388425.000000 0.1
P-Coupling 38842.577685 233055.466110 0.1
Calc-Ekin 38842.655370 1048751.694990 0.2
Constraint-V 38842.577685 233055.466110 0.1
Constraint-Vir 25212.050424 605089.210176 0.1
Settle 8404.016808 2714497.428984 0.6
-----------------------------------------------------------------------
Total 444095400.252783 100.0
-----------------------------------------------------------------------
NODE (s) Real (s) (%)
Time: 78871.000 78871.000 100.0
21h54:31
(Mnbf/s) (GFlops) (ns/day) (hour/ns)
Performance: 45.533 5.631 1.095 21.909
[06:31:30] Writing local files
[06:31:30] Completed 500000 out of 500000 steps (100 percent)
[06:31:30] Writing final coordinates.
[06:31:30] Past main M.D. loop
[06:31:30] Will end MPI now
[06:32:30]
[06:32:30] Finished Work Unit:
[06:32:30] - Reading up to 3729120 from "work/wudata_05.arc": Read 3729120
[06:32:30] - Reading up to 1788724 from "work/wudata_05.xtc": Read 1788724
[06:32:30] goefile size: 0
[06:32:30] logfile size: 16911
[06:32:30] Leaving Run
[06:32:31] - Writing 5539155 bytes of core data to disk...
[06:32:31] ... Done.
[06:32:31] - Shutting down core
[06:32:31]
[06:32:31] Folding@home Core Shutdown: FINISHED_UNIT
[08:35:49] - Autosending finished units...
[08:35:49] Trying to send all finished work units
[08:35:49] + No unsent completed units remaining.
[08:35:49] - Autosend completed