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handle errors from the calculations, can the training go on even if some calculations fail? #155

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Tracked by #148
federicazanca opened this issue Jul 31, 2024 · 1 comment
Open
Tracked by #148

handle errors from the calculations, can the training go on even if some calculations fail? #155

federicazanca opened this issue Jul 31, 2024 · 1 comment
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enhancement New/improved feature or request

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@federicazanca federicazanca mentioned this issue Jul 31, 2024
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this is also something to ask in discussion with aiida-workgraph people.
when I run both the hts and (especially) the training, maybe I don't care if all the thousands of structure's optimisations are completed. Even if some fail I still want to go on with the non failed ones.
discuss with aiida people how to handle this

@ElliottKasoar ElliottKasoar added enhancement New/improved feature or request and removed aiida-mlip labels Nov 19, 2024
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@ElliottKasoar @federicazanca