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Title: Error: malloc(): corrupted top size
Post by: omarove on July 12, 2021, 10:35:14 AM

Hi all,

When running charge equilibration for MIL-101, the error message (malloc(): corrupted top size) shows up after reading the CIF file (not immediately). It seems like an error related to C language. Is it because of the huge size of the framework? If so, how can I perform the Qeq on MIL-101? I would appreciate any input.

Best,
Omar

Title: Re: Error: malloc(): corrupted top size
Post by: David Dubbeldam on July 21, 2021, 09:37:02 AM

MIL-101 is very large indeed. RASPA is not optimized for speed. You can use a debugger to see where it goes wrong.

Title: Re: Error: malloc(): corrupted top size
Post by: omarove on July 27, 2021, 10:39:35 AM

Thank you for the answer, professor. I will check that out.

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RASPA => Output files => Topic started by: omarove on July 12, 2021, 10:35:14 AM