nscf
calculation throw an ERROR KILLED BY SIGNAL: 6 (Aborted)
in HSE calculation
#5135
Closed
16 tasks
Describe the bug
Either the latest 3.7.5 or the 3.6.5 version, when I do the nscf calculation after HSE scf, it runs into
KILLED BY SIGNAL: 6 (Aborted)
. After I comment thedft_functional
, the NSCF calculation can run but the result is WRONG.You can check the zip file: hse-nscf-ERROR.zip
When I claim that
dft_functional hse
, the running result gives an ERRORKILLED BY SIGNAL: 6 (Aborted)
like:In this case, I check the running log with debug info and it seems broken at this step:
When I comment the
dft_functional
line which means set to pbe, the NSCF calculation can run but the result is definitely WRONG:Expected behavior
No response
To Reproduce
No response
Environment
No response
Additional Context
No response
Task list for Issue attackers (only for developers)
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