When executing the examples in examples/21_deepks/lcao_CsPbI3, ABACUS terminates if the number of processes exceeds 12.

[liusss324]

Describe the bug

Dear developer,
I attempted to run a DeepKS test in the directory examples/21_deepks/lcao_CsPbI3. The command I used to launch ABACUS was export OMP_NUM_THREADS=8 mpirun -np 12 abacus. When the number of processes exceeds 12, ABACUS terminates and displays error messages as shown below. The version of ABACUS is 3.9.0.23, and the node has 256 GB of memory.

However, in the directory examples/21_deepks/lcao_H2O, ABACUS runs successfully with the command export OMP_NUM_THREADS=2 mpirun -np 48 abacus.

Expected behavior

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To Reproduce

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Environment

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Additional Context

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[mohanchen]

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