`KILLED BY SIGNAL: 6 (Aborted)` caused by `Gint_interface::cal_gint_vlocal` in EXX calculation when using ABACUS 3.7.1 and 3.7.2

[xdzhu]

Describe the bug

When I was using ABACUS versions 3.7.1 and 3.7.2 for HSE calculations, the program crashed after completing the first round of EXX with an error message indicating that xxx had exited. After enabling debug information, I found that the program stopped at the Gint_interface::cal_gint_vlocal function. Do you have any ideas on how to resolve this issue? To reproduce, you can check the zip file: signal6.zip

screen output:

running_scf.log:

Expected behavior

No response

To Reproduce

To reproduce, you can check the zip file: signal6.zip

Environment

No response

Additional Context

No response

Task list for Issue attackers (only for developers)

• [ ] Verify the issue is not a duplicate.
• [ ] Describe the bug.
• [ ] Steps to reproduce.
• [ ] Expected behavior.
• [ ] Error message.
• [ ] Environment details.
• [ ] Additional context.
• [ ] Assign a priority level (low, medium, high, urgent).
• [ ] Assign the issue to a team member.
• [ ] Label the issue with relevant tags.
• [ ] Identify possible related issues.
• [ ] Create a unit test or automated test to reproduce the bug (if applicable).
• [ ] Fix the bug.
• [ ] Test the fix.
• [ ] Update documentation (if necessary).
• [ ] Close the issue and inform the reporter (if applicable).

[dzzz2001]

Can you reproduce this error using the latest version of ABACUS (commit: 895c282)? The most recent commit modified the cal_gint_vlocal function, which might have fixed the previous issue. This test case consumes too much memory, and I haven't been able to get results on my computer. Perhaps you could provide a smaller test case?

[xdzhu]

Can you reproduce this error using the latest version of ABACUS (commit: 895c282)? The most recent commit modified the cal_gint_vlocal function, which might have fixed the previous issue. This test case consumes too much memory, and I haven't been able to get results on my computer. Perhaps you could provide a smaller test case?

I pull the latest version of Commit: d2d5c56 and compile abacus, the signal 6 ERROR also comes up. signal6-again.zip

[xdzhu]

Now the problem is solved.