scaLAPACK: Routine ZPOTRF ZTRTRI failed! 1 14 1
LAPACK: Routine ZTRTRI failed!
Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
This is the error I get when running vasp_ncl calculation. I modified the ALGO as suggested by previous vaspforum suggestions but it didn't work.
Any suggestions are appreciated? Also does vasp_ncl require any new input files apart from INCAR, POSCAR, POTCAR and KPOINTS
vasp_ncl for magnetic anisotropy calculation
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Re: vasp_ncl for magnetic anisotropy calculation
Hello!
In order to help you we need more specific information about your problem. In particular:
Best,
Andreas Singraber
In order to help you we need more specific information about your problem. In particular:
- Can you post a link to the forum topic you mentioned ("..modified the ALGO as suggested...")?
- How did you set up your VASP run? Did you follow any tutorial/help pages on the Wiki?
- Please upload your VASP configuration files according to the forum guidelines!
Best,
Andreas Singraber
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Re: vasp_ncl for magnetic anisotropy calculation
Thank you @andreas.singraber, the issue was resolved. Those errors were due to unconverged structure. I modified the POSCAR and it worked.