LAPACK: Routine ZPOTRF failed!

[lqzhang]

Dear administer:
I am running a program by mixing noble gas Ar with SiO2 molecules. VASP could work well for SiO2 and other noble gas mixtures without any problem but for Ar, it could not work. It showed me following error messages:

vasp.4.6.31 08Feb07 complex
POSCAR found : 3 types and 97 ions
LDA part: xc-table for Ceperly-Alder, standard interpolation

-----------------------------------------------------------------------------
| |
| W W AA RRRRR N N II N N GGGG !!! |
| W W A A R R NN N II NN N G G !!! |
| W W A A R R N N N II N N N G !!! |
| W WW W AAAAAA RRRRR N N N II N N N G GGG ! |
| WW WW A A R R N NN II N NN G G |
| W W A A R R N N II N N GGGG !!! |
| |
| VASP found 288 degrees of freedom |
| the temperature will equal 2*E(kin)/ (degrees of freedom) |
| this differs from previous releases, where T was 2*E(kin)/(3 NIONS). |
| The new definition is more consistent |
| |
-----------------------------------------------------------------------------
WARNING: wrap around errors must be expected
FFT: planning ... 16
reading WAVECAR
WARNING: random wavefunctions but no delay for mixing, default for NELMDL
prediction of wavefunctions initialized
entering main loop
N E dE d eps ncg rms rms(c)
LAPACK: Routine ZPOTRF failed! 255

I tried to use different algorithm to do calculation and used a smaller time step, but it still showed me the same error message. It is really weird. Could I get any suggestions on that? thanks a lot.

[admin]

the error indiactes that the overlap matrix could not be factorized.
If you can run the same executable of vasp for different systems, please check your geometry input, most probably the distance between some of the ions is unreasonable.