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
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MumuMaster2021 opened 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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