deepmodeling / abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.
http://abacus.ustc.edu.cn
GNU Lesser General Public License v3.0
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SOC "Caught signal 11 (Segmentation fault: address not mapped to object at address 0x10)" error #4459

Open 1041176461 opened 2 months ago

1041176461 commented 2 months ago

Describe the bug

When running ABACUS v3.6.2 with lspinorb=1, Caught signal 11 (Segmentation fault: address not mapped to object at address 0x10) is reported. More detail error information, please check the 'job.*err' file in scf-soc.zip below.

Expected behavior

No response

To Reproduce

scf-soc.zip

Environment

Centos 7.9 Intel oneAPI 2022

Additional Context

No response

Task list for Issue attackers (only for developers)

WHUweiqingzhou commented 2 months ago

@dyzheng could you have a look?