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!"
“ LAPACK: Routine ZPOTRF failed! 1�
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orlando
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“ LAPACK: Routine ZPOTRF failed! 1�
Last edited by orlando on Wed Jul 30, 2008 9:07 pm, edited 1 time in total.
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support_vasp
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Re: “ LAPACK: Routine ZPOTRF failed! 1�
Hi,
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