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Spatial::LSTCAP #246

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mayank-kohli opened this issue Mar 11, 2024 · 1 comment
Open

Spatial::LSTCAP #246

mayank-kohli opened this issue Mar 11, 2024 · 1 comment

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@mayank-kohli
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mayank-kohli commented Mar 11, 2024 •
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Hi I am getting following error during minimization

Terminating with uncaught exception : An internal array in Spatial requested 55350 elements, but only 52896 (48*1102) were allocated. Please incrso as to make Spatial::LSTCAP*1102 >= 55350. at /home/administrator/Documents/tinker9/src/cu/spatial.cu:703

Thank you
@zhi-wang
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This usually happens when a pathologically high number of atoms are included in the cutoff distance, either due to an unrealistically long cutoff distance or an unlikely high density, or both.

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@zhi-wang @mayank-kohli