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Bug:: PwBandsWorkChain (Restart Failure): Incomplete Band Structure #1025

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AndresOrtegaGuerrero opened this issue Apr 28, 2024 · 0 comments

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@AndresOrtegaGuerrero
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When executing the PwBandsWorkChain, it initiated two PwCalculation processes, both labeled as 'bands'. The first calculation terminated prematurely due to a WALL_TIME limit being reached. A restart was triggered, and the second calculation successfully completed the PwBandsWorkChain. However, an issue arose: the final band structure, derived from the output, represents only the latter half of the calculations. Consequently, the results only reflect the last segment of the intended band structure analysis.

Screenshot 2024-04-28 at 19 44 27 Screenshot 2024-04-28 at 19 43 55
@AndresOrtegaGuerrero AndresOrtegaGuerrero changed the title PwBandsWorkChain Issue: Incomplete Band Structure from Non-Concatenated Partial Calculations Bug:: PwBandsWorkChain (Restart Failure): Incomplete Band Structure May 25, 2024
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