job restart

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MemDFT
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job restart

#1 Post by MemDFT » Sat Jul 27, 2019 12:57 am

Dear Admin,
How can we continue a previous job which is canceled due to the time limit?
What I know is this:
change CONTCAR to POSCAR
write ISTART = 1 and ICHARG = 1 in the INCAR
keep CHGCAR and WAVECAR of the previous run and remove other files
submit the job.
I was wondering if you could please tell me whether this way is correct or not.
Thank you in advance.

SKM
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Re: job restart

#2 Post by SKM » Thu Dec 19, 2019 3:20 am

hi
not sure, if you resolved this issue by this time.
The steps you mentioned seems correct, though i never done like that, as there are many editing needed while re-start in that way.

What is generally do is just copy CONTCAR to POSCAR. and resubmit the job. As initially i do not write and WAVECAR file etc, which require more memory. also i use ISTRAT=0.

Just to learn more, please let me know, in case you did differently and if my procedure leads to any complications in any subsequent analysis.

Regards

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