Restarting a workchain
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Vinay Maithani
Jun 21, 2023, 5:08:30 AM6/21/23
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Dear Developers and Users,
I'm running a workchain with aiida-quantumespresso, but I'm not sure how to restart it if it gets stuck or runs out of wall time. Because it is impossible to predict an adequate walltime for each calculation. And if some of the steps in the workchain are completed, I don't want to restart and resubmit the entire workchain.
I'm running a workchain with aiida-quantumespresso, but I'm not sure how to restart it if it gets stuck or runs out of wall time. Because it is impossible to predict an adequate walltime for each calculation. And if some of the steps in the workchain are completed, I don't want to restart and resubmit the entire workchain.
Regards,
Vinay Maithani
IIT Kharagpur
mbe...@gmail.com
Jul 9, 2023, 1:57:06 PM7/9/23
to aiidausers
Hi Vinay! Sorry for the slow response.
Are the calculations you are running in the work chain wrapped in a PwBaseWorkChain (assuming you are running pw.x)? This should automatically restart the calculation if you hit the wall time.
Best,
Marnik
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