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Running length gague rt-tddft with out_current 1 will terminated the program at the first time step during current calculation. Here is an example. ex.zip
The program runs normally when using 1 thread and 20 processes, but it crashes when using 1 thread and 28 processes. The same problem does not occur in the velocity gauge.
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The text was updated successfully, but these errors were encountered:
Describe the bug
Running length gague rt-tddft with
out_current 1
will terminated the program at the first time step during current calculation. Here is an example.ex.zip
The program runs normally when using 1 thread and 20 processes, but it crashes when using 1 thread and 28 processes. The same problem does not occur in the velocity gauge.
Expected behavior
No response
To Reproduce
No response
Environment
No response
Additional Context
No response
Task list for Issue attackers (only for developers)
The text was updated successfully, but these errors were encountered: