what is wrong with my vasp5.2.2

[botaoteng]

Dear Prof Graeme,

I compile the vasp5.2.2 and vtstcode2.04b succesfully.
If I use it for geometric optimization, it works well. However,when I use it to calculated the IR vibration, it doesnot work if I dont set NPAR=1; and it just calculate the 1st value 1F=..... and stop if I set NPAR=1 in INCAR file .

What is wrong with my vasp?

Thanks in advance
Best regards

[graeme]

Make sure that ediffg is set very small such as -1e05 (or even zero) to prevent vasp from stopping because the convergence criterion is met.

[botaoteng]

Thanks for your kind reply.
I try as your suggestion and still failed.
I paste the output .
This is the CO vibration frequencies in the example of vasp.
running on 8 nodes
distr: one band on 8 nodes, 1 groups
vasp.5.2.2 15Apr09 complex
POSCAR found type information on POSCAR O C
POSCAR found : 2 types and 2 ions
LDA part: xc-table for Ceperly-Alder, standard interpolation
POSCAR found type information on POSCAR O C
POSCAR found : 2 types and 2 ions

-----------------------------------------------------------------------------
| |
| 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 !!! |
| |
| Your generating k-point grid is not commensurate to the symmetry |
| of the lattice. This can cause slow convergence with respect |
| to k-points for HF type calculations |
| suggested SOLUTIONS: |
| ) if not already the case, use automatic k-point generation |
| ) shift your grid to Gamma (G) (e.g. required for hex or fcc lattice) |
| |
-----------------------------------------------------------------------------

found WAVECAR, reading the header
number of bands has changed, file: 16 present: 9
trying to continue reading WAVECAR, but it might fail
POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: small aliasing (wrap around) errors must be expected
FFT: planning ...( 1 )
reading WAVECAR
the WAVECAR file was read sucessfully
charge-density read from file: CO
entering main loop
N E dE d eps ncg rms rms(c)
DAV: 1 -0.148312062735E+02 -0.14831E+02 -0.10211E+00 19 0.966E+00 0.410E-01
DAV: 2 -0.148292506065E+02 0.19557E-02 -0.15280E-02 20 0.116E+00 0.242E-01
DAV: 3 -0.148285478837E+02 0.70272E-03 -0.54186E-03 28 0.658E-01 0.728E-02
DAV: 4 -0.148285141945E+02 0.33689E-04 -0.34489E-04 20 0.143E-01 0.355E-02
DAV: 5 -0.148285288496E+02 -0.14655E-04 -0.59879E-05 18 0.589E-02 0.119E-02
DAV: 6 -0.148285405777E+02 -0.11728E-04 -0.89883E-06 19 0.298E-02 0.304E-03
DAV: 7 -0.148285687088E+02 -0.28131E-04 -0.61136E-06 19 0.165E-02 0.167E-03
DAV: 8 -0.148285998987E+02 -0.31190E-04 -0.94509E-06 19 0.197E-02 0.147E-03
DAV: 9 -0.148286205030E+02 -0.20604E-04 -0.29652E-06 18 0.113E-02 0.530E-04
DAV: 10 -0.148286300768E+02 -0.95738E-05 -0.59649E-07 18 0.523E-03
1 F= -.14828630E+02 E0= -.14828630E+02 d E =-.247491E-11
Finite differences POTIM= 0.02000 DOF= 1

-----------------------------------------------------------------------------
| |
| EEEEEEE RRRRRR RRRRRR OOOOOOO RRRRRR ### ### ### |
| E R R R R O O R R ### ### ### |
| E R R R R O O R R ### ### ### |
| EEEEE RRRRRR RRRRRR O O RRRRRR # # # |
| E R R R R O O R R |
| E R R R R O O R R ### ### ### |
| EEEEEEE R R R R OOOOOOO R R ### ### ### |
| |
| VASP internal routines have requested a change of the k-point set. |
| Unfortunately this is only possible if NPAR=number of nodes. |
| Please remove the tag NPAR from the INCAR file and restart the |
| calculations. |
| |
| ----> I REFUSE TO CONTINUE WITH THIS SICK JOB ..., BYE!!! <---- |
| |
-----------------------------------------------------------------------------


I set NPAR=1,2.4,and 8 respectively, but all failed. Is this a compiling problem ?

[botaoteng]

by the way, the kpoint was set to be Gamma.
CO was put into a 3D cube with the length of 1 nm.

[graeme]

Make sure to remove the old CHG* WAV* files. Also, set ISYM=0.

[botaoteng]

Thanks for your kind reply.
I try as your suggestion, but still failed.
However, If I set the superlattice size is 8 A, the calculation can be carried out.
I will try to compile the vasp.5.2.2 again .