To many tries required

Message

wipper · #1 Post by **wipper** » Fri Jul 11, 2008 7:04 pm

Hello together,

has anyone encountered this error message before and can tell me what it means?

Best regards and thank you

Stefan

----------------------------------------------------

bachianas
running on 16 nodes
distr: one band on 1 nodes, 16 groups
vasp.4.6.28 25Jul05 complex
POSCAR found : 3 types and 106 ions
scaLAPACK will be used

-----------------------------------------------------------------------------
| |
| ADVICE TO THIS USER RUNNING 'VASP/VAMP' (HEAR YOUR MASTER'S
VOICE ...): |
| |
| You have a (more or less) 'large supercell' and for larger cells |
| it might be more efficient to use real space projection operators |
| So try LREAL= Auto in the INCAR file. |
| Mind: If you want to do an extremely accurate calculations keep the |
| reciprocal projection scheme (i.e. LREAL=.FALSE.) |
| |
-----------------------------------------------------------------------------

LDA part: xc-table for Ceperly-Alder, standard interpolation
found WAVECAR, reading the header
nup: number of bands has changed, file: 240 present: 272
POSCAR, INCAR and KPOINTS ok, starting setup
POSCAR, INCAR and KPOINTS ok, starting setup
FFT: planning ... 1
reading WAVECAR
WARNING: random wavefunctions but no delay for mixing, default for NELMDL
entering main loop
N E dE d eps ncg rms
rms(c)
RMM: 1 0.230175054929E+05 0.23018E+05 -0.88628E+04 1088 0.733E+02
RMM: 2 0.206199095644E+05 -0.23976E+04 -0.25956E+04 1088 0.175E+02
RMM: 3 0.197851905156E+05 -0.83472E+03 -0.89456E+03 1088 0.101E+02
RMM: 4 0.194467220261E+05 -0.33847E+03 -0.31493E+03 1088 0.718E+01
RMM: 5 0.192936738674E+05 -0.15305E+03 -0.13960E+03 1088 0.477E+01
RMM: 6 0.192188821199E+05 -0.74792E+02 -0.69136E+02 1088 0.349E+01
RMM: 7 0.191798023650E+05 -0.39080E+02 -0.37236E+02 1088 0.249E+01
RMM: 8 0.191575965966E+05 -0.22206E+02 -0.21111E+02 1088 0.190E+01
RMM: 9 0.191248015617E+05 -0.32795E+02 -0.32309E+02 3491 0.139E+01
RMM: 10 0.191194381549E+05 -0.53634E+01 -0.53735E+01 3260 0.312E+00
RMM: 11 0.191178726497E+05 -0.15655E+01 -0.13185E+01 2376 0.109E+00
RMM: 12 0.191174213185E+05 -0.45133E+00 -0.31442E+00 2109 0.573E-01
0.388E+01
RMM: 13 0.191703912674E+05 0.52970E+02 -0.26781E+02 2537 0.149E+01
0.203E+01
RMM: 14 0.191393439085E+05 -0.31047E+02 -0.11950E+02 2790 0.712E+00
0.182E+01
RMM: 15 0.192088442319E+05 0.69500E+02 -0.30414E+01 2600 0.514E+00
0.905E+00
RMM: 16 0.192154783143E+05 0.66341E+01 -0.10407E+01 2989 0.217E+00
0.564E+00
RMM: 17 0.192158556154E+05 0.37730E+00 -0.41529E+00 2772 0.161E+00
0.453E+00
RMM: 18 0.192162938040E+05 0.43819E+00 -0.24737E+00 2676 0.128E+00
0.392E+00
RMM: 19 0.192176347984E+05 0.13410E+01 -0.29310E-01 1903 0.553E-01
0.118E+00

TOO MANY TRIES REQUIRED

TOO MANY TRIES REQUIRED
0.7006E-44 0.0000E+00 0.0000E+00 -0.1653E+01 -0.1000E-04

TOO MANY TRIES REQUIRED
mesh R V*r A ,6X, B

TOO MANY TRIES REQUIRED
0.7006E-44 0.0000E+00 0.0000E+00 -0.1659E+01 -0.1000E-04

TOO MANY TRIES REQUIRED
mesh R V*r A ,6X, B

TOO MANY TRIES REQUIRED
0.7006E-44 0.0000E+00 0.0000E+00 -0.1658E+01 -0.1000E-04

TOO MANY TRIES REQUIRED
mesh R V*r A ,6X, B

TOO MANY TRIES REQUIRED
0.7006E-44 0.0000E+00 0.0000E+00 -0.1661E+01 -0.1000E-04

TOO MANY TRIES REQUIRED
mesh R V*r A ,6X, B

TOO MANY TRIES REQUIRED
0.7006E-44 0.0000E+00 0.0000E+00 -0.1653E+01 -0.1000E-04

TOO MANY TRIES REQUIRED
mesh R V*r A ,6X, B
0.7006E-44 0.0000E+00 0.0000E+00 -0.1665E+01 -0.1000E-04

TOO MANY TRIES REQUIRED
mesh R V*r A ,6X, B

TOO MANY TRIES REQUIRED
0.7006E-44 0.0000E+00 0.0000E+00 -0.1652E+01 -0.1000E-04

TOO MANY TRIES REQUIRED
mesh R V*r A ,6X, B

TOO MANY TRIES REQUIRED
0.7006E-44 0.0000E+00 0.0000E+00 -0.1667E+01 -0.1000E-04

TOO MANY TRIES REQUIRED
mesh R V*r A ,6X, B

#2 Post by **admin** » Mon Jul 14, 2008 1:23 pm

the message says that the core wave function and core level energy
could not be converged to the requested accuracy within 200 steps