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Error: malloc(): corrupted top size

Started by omarove, July 12, 2021, 10:35:14 AM

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omarove

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

David Dubbeldam

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

omarove

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