My Community

A user at the San Diego Supercomputer Center originally tried this run on vasp 5.4.4 , and it failed without giving any useful errors.

I tried it with vasp 6.4.2 and got the same result (please see the attached tar file)

Thanks,

Jerry

This calculation is very memory-demanding: 128 ions, hartree-fock, and 99 k-points.
I think some memory allocation failed and then the code crashed with a segmentation fault.

I would suggest that the user tries to run fewer k-points at once or use the KPOINTS_OPT feature of vasp.6:
https://www.vasp.at/wiki/index.php/Band ... unctionals