Fix: Fix crash in RT-TDDFT current calculation with length gauge when using > 20 MPI processes #5959
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Great job! Although I'm still curious about the origin of this issue, I suppose it is not very important now. |
ESROAMER
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Mar 5, 2025
mohanchen
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Mar 5, 2025
mohanchen
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Fisherd99
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Mar 31, 2025
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Linked Issue
Fix #5784
Benchmark
I did a benchmark using C₂H₂, it seems that all results are the same under single core and 28 cores calculation after fix: