Has someone managed to automatically calculate the "Estimated Time of Arrival" of the calculation?
All the information seems to be there, but I fail to calculate and print it out automatically.
Here is a simplified part of my input script:
(...)
#output settings
thermo_style custom step cpu
thermo 10000
(...)
run 800000 upto
(...)
The output looks somewhat like this:
Memory usage per processor = 31.7688 Mbytes
Step CPU
0 0
10000 361.61472
20000 749.40982
The first 20000 steps took 750s of cpu time, so a (rough) estimation would be:
800000/20000*750s = 30000s = 8h20'
Is there any way to calculate the duration or even better the ESTA Time of the calculation automatically using e.g. variable equal ... or any other command?
Many thanks in advance,
Daniel
sbateman | Mon, 03/18/2013 - 17:12
What's wrong with something
What's wrong with something like:
variable eta equal 800000/step*cpu
And then output that variable with thermo.
Maybe also take a look at the "spcpu" thermo variable if you are worried about the speed of your simulation.
DanielDroop | Tue, 03/19/2013 - 10:06
Hi sbateman
thanks for your reply, that put me back on the right track! I was thinking to complicated :-)
This works for me now:
variable eta equal cpu*(30000-(elapsed+1))/(elapsed+1)where 30000 are the steps for this particular run and "+1" avoids "Divide by 0" errors.