"double free or corruption" error

Problems running VASP: crashes, internal errors, "wrong" results.

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jethro_pryke
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"double free or corruption" error

#1 Post by jethro_pryke » Wed May 27, 2020 10:30 am

Hi,

I am trying to run a DOS calculation with LDA + U functional and I am getting this error:

*** Error in `vasp_std': double free or corruption (!prev): 0x000000000a148a00 ***

I have run it with out the +U bit and it works, but when I add in the INCAR tags for the +U it then gives the error.

The POSCAR, INCAR, KPOINTS, POTCAR files are in the attached zip folder and I have copied the error message into the "double_free_or_corruption.txt" file also in the zip folder.

Thanks for the help.
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ferenc_karsai
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Re: "double free or corruption" error

#2 Post by ferenc_karsai » Tue Jun 02, 2020 3:36 pm

To run with "LDAUTYPE = 4" one still needs to run spinpolarized ("ISPIN = 2").
Then the error should disappear.

There is also a typo for "LMAXMIX" in your input: LMAXMIN -> LMAXMIX.

jethro_pryke
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Re: "double free or corruption" error

#3 Post by jethro_pryke » Fri Jun 05, 2020 8:52 am

Hi ferenc_karsai

That worked perfectly. Thank you very much for the help.

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