Hello Everyone
I am wondering whether there is a way to find an estimate of the time period
required for running input file in abinit before I actullay make the run? Thank you.
Estimate time for running a input file?
Moderator: bguster
Re: Estimate time for running a input file?
Hello,
not easy - I would extrapolate from small runs with low ecut. Try ecut 2, 5, 7, 10, with identical nkpt, processor distribution, etc... and see how it varies. Might be quadratic with ecut... Of course if you end up with much more memory and communications in the full production run, things will slow down too.
M.
not easy - I would extrapolate from small runs with low ecut. Try ecut 2, 5, 7, 10, with identical nkpt, processor distribution, etc... and see how it varies. Might be quadratic with ecut... Of course if you end up with much more memory and communications in the full production run, things will slow down too.
M.
Matthieu Verstraete
University of Liege, Belgium
University of Liege, Belgium
Re: Estimate time for running a input file?
Hello,
Yes, your answer completely makes sense to me. I will try that. Thank you very much!
Yes, your answer completely makes sense to me. I will try that. Thank you very much!