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Update job script #341

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Update job script #341

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aproeme
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@aproeme aproeme commented Jun 26, 2024

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@aproeme aproeme requested a review from aturner-epcc June 26, 2024 15:46
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Just one minor clarification

# Run using input in test.inp
srun cp2k.psmp -i test.inp
srun --distribution=block:block --cpu-bind=cores cp2k.psmp -i test.inp
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Is the --cpu-bind=cores preferred to the --hint=nomultithread option that we usually recommend to get correct placement (I have not compared the difference)?

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