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OMP: Warning #182 #93

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hkzhang123 opened this issue May 17, 2023 · 1 comment
Open

OMP: Warning #182 #93

hkzhang123 opened this issue May 17, 2023 · 1 comment

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@hkzhang123
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Hi!
I am using PyContact to perform the solvent-accessible surface area (SASA) calculations, but I got the following error when I click the Calculate button. I would be so thankful if you could help me.
pycontact
OMP: Warning #182: OMP_STACKSIZE: ignored because KMP_STACKSIZE has been defined
OMP: Warning #182: OMP_STACKSIZE: ignored because KMP_STACKSIZE has been defined
OMP: Warning #182: OMP_STACKSIZE: ignored because KMP_STACKSIZE has been defined
OMP: Warning #182: OMP_STACKSIZE: ignored because KMP_STACKSIZE has been defined
OMP: Warning #182: OMP_STACKSIZE: ignored because KMP_STACKSIZE has been defined

Thank you
Best,
haikuo

@maxscheurer
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I haven't seen this warning w/ PyContact ever. You could try running with 1 core only maybe, but in any case, this is not a real "error" related to PyContact but rather to how the environment is set up, probably.

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