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Can PwBaseWorkChain be used like PwCalculation? #692

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atztogo opened this issue May 19, 2021 · 2 comments
Closed

Can PwBaseWorkChain be used like PwCalculation? #692

atztogo opened this issue May 19, 2021 · 2 comments

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@atztogo
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atztogo commented May 19, 2021

I use aiida-core v1.6.3, aiida-quantumespress v.3.4.1.
I succeeded to run PwCalculation. Can I use PwBaseWorkChain similarly to PwCalculation?

I set structure, parameters, metadata.options.resources (I use sge), code, and pseudos at builder.pw, and builder.kpoints, then run(builder), but I could not succeed to run the WorkChain,
@sphuber
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sphuber commented May 19, 2021

Hi @atztogo . Thanks for the report. I think this might be a problem with you using the SgeScheduler. There was a bug in the resource validation of the base workchain which I fixed in #683 but that hasn't been released yet (the PR to release it with 3.4.2 is open and should be released soon though). Could you try installing the develop branch of aiida-quantumespresso and try again? Thanks.

@atztogo
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atztogo commented May 19, 2021

@sphuber, develop branch (9b083e7) worked. Thanks!

@atztogo atztogo closed this as completed May 19, 2021
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@atztogo @sphuber