VASP compiled with MPICH2- LAPACK ZPOTRF error
Posted: Mon Sep 25, 2006 9:01 pm
Hi
I was testing the mpivasp and I encountered a weird error. Initially when I used the USPP POTCAR file the mpivasp worked perfectly fine.
So in the next step I used the PAW POTCAR and my test calculations crashes with the foloowing error.
running on 2 nodes
distr: one band on 1 nodes, 2 groups
vasp.4.6.28 25Jul05 complex
POSCAR found : 1 types and 2 ions
LDA part: xc-table for Ceperly-Alder, standard interpolation
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: wrap around errors must be expected
FFT: planning ... 1
reading WAVECAR
LAPACK: Routine ZPOTRF failed! 4
LAPACK: Routine ZPOTRF failed! 4
I don't understand how the USPP POTCAR works and the PAW one fails
Any comments ?
Thanks
I was testing the mpivasp and I encountered a weird error. Initially when I used the USPP POTCAR file the mpivasp worked perfectly fine.
So in the next step I used the PAW POTCAR and my test calculations crashes with the foloowing error.
running on 2 nodes
distr: one band on 1 nodes, 2 groups
vasp.4.6.28 25Jul05 complex
POSCAR found : 1 types and 2 ions
LDA part: xc-table for Ceperly-Alder, standard interpolation
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: wrap around errors must be expected
FFT: planning ... 1
reading WAVECAR
LAPACK: Routine ZPOTRF failed! 4
LAPACK: Routine ZPOTRF failed! 4
I don't understand how the USPP POTCAR works and the PAW one fails
Any comments ?
Thanks