My Community

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

Hello!

In order to help you we need more specific information about your problem. In particular:

1. Can you post a link to the forum topic you mentioned ("..modified the ALGO as suggested...")?
2. How did you set up your VASP run? Did you follow any tutorial/help pages on the Wiki?
3. Please upload your VASP configuration files according to the forum guidelines!

Thank you!

Best,

Andreas Singraber

Thank you @andreas.singraber, the issue was resolved. Those errors were due to unconverged structure. I modified the POSCAR and it worked.