How to get total walltime if the calculation is not finished

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How to get total walltime if the calculation is not finished

Postby sjtuzhanglei » Wed May 18, 2016 6:25 pm

Hello,

I am trying to generate time information in OUTCAR of each calculation.

For completed jobs, it is straight forward, the consumed wall-time is just the Elpased time at the end of OUTCAR. However, for incomplete jobs or jobs with this ending line(please rerun with smaller EDIFF, or copy CONTCAR to POSCAR and continue), there is no total wall-time information summarized at the end of OUTCAR unfortunately.

I tried to "grep time OUTCAR" and generated a bunch of lines with time information consumed by each subroutine, and then I summed over all and got a total time.

I am wondering the physical meaning of the time I summed over? I checked and found that it is not the same as any of the time at the end of OUTCAR.

For those jobs without a summarized time information in OUTCAR, what is the right way to find the wall-time consumed?

Thank you!
sjtuzhanglei
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Re: How to get total walltime if the calculation is not fini

Postby Neutrino » Fri May 20, 2016 2:24 am

Hi sjtuzhanglei,


You can do this outside VASP. In your job submission script, ask your computer to output the date right before running VASP and right after it. For example

date >>test
./vasp
date >>test


This will store the date before and after running VASP in a file called test.

Mostafa
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