Setting different value of OMP_NUM_THREADS results in the fail of simulation

[Love-sea]

Describe the bug

For the same model, I ran simulations with the value (OMP_NUM_THREADS) set to 1 and 2, respectively, yielding drastically different results as shown in the figure below. When the parameter is set to 2, the simulation runs exceedingly slowly and generates a warning: "the movement of atom is larger than the length of cell," ultimately causing the simulation to terminate prematurely.

Expected behavior

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To Reproduce

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Environment

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Additional Context

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