abacusmodeling / abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.
GNU Lesser General Public License v3.0
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HSE calculation is interrupted without error reports #323

Open MumuMaster2021 opened 3 months ago

MumuMaster2021 commented 3 months ago

Describe the bug

96 atoms' scf calculation with hse and execute"OMP_NUM_THREADS=32 mpirun -np 1 abacus > log " ,After running for 20 minutes, the task failed . m0-hse.tar.gz

Expected behavior

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To Reproduce

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Environment

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Additional Context

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