“ LAPACK: Routine ZPOTRF failed! 1�

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


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orlando
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Posts: 3
Joined: Wed Jul 12, 2006 11:28 am

“ LAPACK: Routine ZPOTRF failed! 1�

#1 Post by orlando » Wed Jul 30, 2008 9:07 pm

I want to calculate the single Te atom. The prblem is following.
running on 2 nodes
distr: one band on 1 nodes, 2 groups
vasp.4.6.34 5Dec07 complex
POSCAR found : 1 types and 1 ions
LDA part: xc-table for Ceperly-Alder, standard interpolation
POSCAR, INCAR and KPOINTS ok, starting setup
FFT: planning ... 1
reading WAVECAR
WARNING: random wavefunctions but no delay for mixing, default for NELMDL
LAPACK: Routine ZPOTRF failed! 1
LAPACK: Routine ZPOTRF failed! 1


1) INCAR

ICHARG = 2
ISMEAR = 0
SIGMA = 0.1
PREC = Accurate

ALGO = Normal
EDIFF = 1E-5

NELMIN = 6
LPLANE = .TRUE.
NPAR = 2
LSCALU = .FALSE.

2) POSCAR
Te
1.00000000000
16.000000 0.0000000 0.000000000000000
0.0000000 17.000000 0.000000000000000
0.0000000 0.0000000 18.00000000000000
1
Cartesian
0.00 0.00 0.00

3) KPOINTS
Auto
0
Gamma
1 1 1
0 0 0


Please tell me how to solve the problem " LAPACK: Routine ZPOTRF failed!"
Last edited by orlando on Wed Jul 30, 2008 9:07 pm, edited 1 time in total.

support_vasp
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Joined: Mon Nov 18, 2019 11:00 am

Re: “ LAPACK: Routine ZPOTRF failed! 1�

#2 Post by support_vasp » Wed Sep 04, 2024 2:03 pm

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP


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