When I try to calculate the vibration frequency of TiO2, I set IBRION=5 in VASP, but it turns out I couldn't use NCORE>1 in this situation, once I use NCORE>1, VASP would run for only one ionic step, and then stop.
Is this some kind of bug or there is a more complicated reason?
Here is the error message:
running on 64 total cores
distrk: each k-point on 16 cores, 4 groups
distr: one band on 16 cores, 1 groups
vasp.6.3.0 20Jan22 (build Apr 21 2022 08:28:17) gamma-only
POSCAR found type information on POSCAR H C O TiCu
POSCAR found : 5 types and 79 ions
scaLAPACK will be used
WARNING: type information on POSCAR and POTCAR are incompatible
POTCAR overwrites the type information in POSCAR
typ 2 type information: C H
LDA part: xc-table for Pade appr. of Perdew
POSCAR found type information on POSCAR H C O TiCu
POSCAR found : 5 types and 79 ions
POSCAR, INCAR and KPOINTS ok, starting setup
FFT: planning ... GRIDC
FFT: planning ... GRID_SOFT
FFT: planning ... GRID
WAVECAR not read
WARNING: random wavefunctions but no delay for mixing, default for NELMDL
entering main loop
N E dE d eps ncg rms rms(c)
DAV: 1 0.962189968479E+04 0.96219E+04 -0.31354E+05 1592 0.156E+03
DAV: 2 0.120501156595E+04 -0.84169E+04 -0.79375E+04 1648 0.488E+02
DAV: 3 -0.572351588775E+03 -0.17774E+04 -0.17336E+04 1832 0.220E+02
DAV: 4 -0.739169994137E+03 -0.16682E+03 -0.16573E+03 2264 0.724E+01
DAV: 5 -0.761486083389E+03 -0.22316E+02 -0.22300E+02 2984 0.236E+01 0.117E+02
DAV: 6 -0.584545650497E+03 0.17694E+03 -0.37934E+02 2344 0.560E+01 0.549E+01
DAV: 7 -0.557399994994E+03 0.27146E+02 -0.28287E+02 2392 0.362E+01 0.304E+01
DAV: 8 -0.557759287444E+03 -0.35929E+00 -0.66876E+01 2232 0.188E+01 0.246E+01
DAV: 9 -0.556156575211E+03 0.16027E+01 -0.77852E+00 2192 0.798E+00 0.110E+01
DAV: 10 -0.556308157936E+03 -0.15158E+00 -0.35423E+00 2520 0.597E+00 0.479E+00
DAV: 11 -0.556383556331E+03 -0.75398E-01 -0.65556E-01 2304 0.385E+00 0.275E+00
DAV: 12 -0.556459162071E+03 -0.75606E-01 -0.17827E-01 2496 0.156E+00 0.146E+00
DAV: 13 -0.556467749346E+03 -0.85873E-02 -0.82389E-02 2288 0.116E+00 0.625E-01
DAV: 14 -0.556480246505E+03 -0.12497E-01 -0.14617E-02 2288 0.331E-01 0.379E-01
DAV: 15 -0.556481372663E+03 -0.11262E-02 -0.45098E-03 2352 0.197E-01 0.255E-01
DAV: 16 -0.556483184852E+03 -0.18122E-02 -0.29763E-03 2312 0.151E-01 0.163E-01
DAV: 17 -0.556483432934E+03 -0.24808E-03 -0.11567E-03 2600 0.113E-01 0.908E-02
DAV: 18 -0.556483568698E+03 -0.13576E-03 -0.45184E-04 2368 0.612E-02 0.620E-02
DAV: 19 -0.556483608223E+03 -0.39525E-04 -0.10142E-04 2560 0.309E-02 0.524E-02
DAV: 20 -0.556483626361E+03 -0.18139E-04 -0.30529E-05 2432 0.294E-02 0.287E-02
DAV: 21 -0.556483616771E+03 0.95909E-05 -0.27797E-05 2336 0.183E-02 0.151E-02
DAV: 22 -0.556483613639E+03 0.31321E-05 -0.84747E-06 2288 0.829E-03 0.110E-02
DAV: 23 -0.556483612230E+03 0.14088E-05 -0.43880E-06 2328 0.576E-03 0.608E-03
DAV: 24 -0.556483609819E+03 0.24112E-05 -0.10952E-06 2280 0.400E-03 0.348E-03
DAV: 25 -0.556483609611E+03 0.20781E-06 -0.62687E-07 2272 0.185E-03 0.185E-03
DAV: 26 -0.556483609690E+03 -0.78908E-07 -0.69696E-08 1816 0.737E-04 0.159E-03
DAV: 27 -0.556483609605E+03 0.85107E-07 -0.26865E-08 1400 0.463E-04 0.141E-03
DAV: 28 -0.556483609564E+03 0.40040E-07 -0.72716E-09 960 0.259E-04 0.137E-03
DAV: 29 -0.556483609543E+03 0.21508E-07 -0.34761E-09 880 0.201E-04 0.135E-03
DAV: 30 -0.556483609552E+03 -0.86002E-08 -0.18163E-09 880 0.131E-04
1 F= -.55648361E+03 E0= -.55648209E+03 d E =-.304676E-02 mag= 1.0400
Finite differences POTIM= 0.01000 DOF= 141
-----------------------------------------------------------------------------
| |
| 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 |
| calculation. |
| |
| ----> I REFUSE TO CONTINUE WITH THIS SICK JOB ... BYE!!! <---- |
| |
-----------------------------------------------------------------------------
