[gmx-users] Parallel Timings

[K.A.Feenstra]

"Jithesh P.V." wrote:
> 
> Hello,
> 
> The logfile from mdrun on multiprocessors reports the
> various timings...Could you please tell me what these
> values indicate? I tried to locate the explanation in
> the manual, but could not.
> 
>                NODE (s)   Real (s)      (%)
>        Time:    508.000    508.000    100.0
>                        8:28
>         (Mnbf/s)  (MFlops) (ps/NODE hour)
> (NODEhour/ns)
> Performance:9.330  293.136   70.866       14.111

I thought these were pretty obvious....

Time:
cpu-time (derived from number of CPU-cycles used) in seconds
wall-time (as your watch or wall-clock indicates) in seconds
ratio of cpu vs wall time in percent

Performance:
number of Mega non-bonded forces per second
number of Mega floating point operation per second
picosecond of simulation time per hour
hours per nanosecond of simulation time

-- 
Groetjes,

Anton
 _____________ _____________________________________________________
|             | Anton Feenstra       Dept. of Biophysical Chemistry |
|  _   _  ___,| K.A.Feenstra at chem.rug.nl    University of Groningen |
| / \ / \'| | | Tel +31 50 363 4327                    Nijenborgh 4 |
|(   |   )| | | Fax +31 50 363 4800               9747 AG Groningen |
| \_/ \_/ | | | http://md.chem.rug.nl/~anton        The Netherlands |
|             | "Make the Floor Burn" (2 Unlimited)                 |
|_____________|_____________________________________________________|