[gmx-users] Some columns in log file.

[Theodore Si]

For example, a form that explains the meanings of the all items in the 
log file.
I found this page 
(http://www.gromacs.org/Documentation/Tutorials/GROMACS_USA_Workshop_and_Conference_2013/Topology_preparation,_%22What's_in_a_log_file%22,_basic_performance_improvements%3A_Mark_Abraham,_Session_1A) 
yesterday, it give some information about the log file, but I think 
it's inadequate.

Computing:
-------------------
Domain decomp.
DD comm. load
DD comm. bounds
Send X to PME
Neighbor search
Comm. coord.
Force
Wait + Comm. F
PME mesh
PME wait for PP
Wait + Recv. PME F
NB X/F buffer ops.
Write traj.
Update
Constraints
Comm. energies
Rest
-------------------
Total
-------------------
-------------------
PME redist. X/F
PME spread/gather
PME 3D-FFT
PME 3D-FFT Comm.
PME solve
-------------------

Could you explain each of these items' meaning? Especially, what does X 
mean?



于2014年7月29日 8:31:51,Szilárd Páll写到:
> On Mon, Jul 28, 2014 at 6:48 AM, Theodore Si <sjyzhxw at gmail.com> wrote:
>> Hi all,
>>
>> In the log file, what do count, wall t(s) G-Cycles mean? It seems that
>> the last column is the percentage of G-Cycles.
>
> "Wall t (s)" = wall-clock time spent in the respective part of code
> "G-cycles" = total giga- CPU cycles across all hardware threads
>
>> I really hope there is a place where I can find all relative information
>> of the log file.
>
> What kind of "relative information" are you referring to?
>
> --
> Szilárd
>
>> Thanks in advance.
>> --
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