Running VASP on 60 cores :
Using executable /home/medea/MD/TaskServer/Tools/vasp6.3.1/Linux-x86_64/vasp_std
running on 60 total cores
distrk: each k-point on 60 cores, 1 groups
distr: one band on 6 cores, 10 groups
vasp.6.3.1 04May22 (build Jun 24 2022 14:24:36) complex
MD_VERSION_INFO: Compiled 2022-06-24T12:52:24-UTC in mrdevlin:/home/medea/data/
build/vasp6.3.1/17134/x86_64/src/src/build/std from svn 17134
This VASP executable licensed from Materials Design, Inc.
POSCAR found : 4 types and 10 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 !!! |
| |
| You use a magnetic or noncollinear calculation, but did not specify |
| the initial magnetic moment with the MAGMOM tag. Note that a |
| default of 1 will be used for all atoms. This ferromagnetic setup |
| may break the symmetry of the crystal, in particular it may rule |
| out finding an antiferromagnetic solution. Thence, we recommend |
| setting the initial magnetic moment manually or verifying carefully |
| that this magnetic setup is desired. |
| |
-----------------------------------------------------------------------------
scaLAPACK is switched off
LDA part: xc-table for Pade appr. of Perdew
found WAVECAR, reading the header
POSCAR, INCAR and KPOINTS ok, starting setup
FFT: planning ... GRIDC
FFT: planning ... GRID_SOFT
FFT: planning ... GRID
reading WAVECAR
the WAVECAR file was read successfully
initial charge from wavefunction
entering main loop
N E dE d eps ncg rms ort
gam= 0.000 g(H,U,f)= 0.315E+00 0.148E+00-0.140E-06 ort(H,U,f) = 0.000E+00 0.000E+00 0.000E+00
SDA: 1 -0.381426383148E+02 -0.38143E+02 -0.18493E+00 4200 0.462E+00 0.000E+00
gam= 0.382 g(H,U,f)= 0.952E-01 0.818E-01-0.153E-07 ort(H,U,f) = 0.119E+00 0.988E-01-0.218E-07
DMP: 2 -0.382782126099E+02 -0.13557E+00 -0.10409E+00 4200 0.177E+00 0.218E+00
gam= 0.382 g(H,U,f)= 0.317E-01 0.427E-01-0.119E-08 ort(H,U,f) = 0.455E-01 0.765E-01-0.283E-08
DMP: 3 -0.383542174669E+02 -0.76005E-01 -0.48392E-01 4200 0.744E-01 0.122E+00
gam= 0.382 g(H,U,f)= 0.834E-02 0.212E-01-0.138E-09 ort(H,U,f) = 0.822E-02 0.468E-01-0.384E-09
DMP: 4 -0.383892523999E+02 -0.35035E-01 -0.20226E-01 4200 0.295E-01 0.551E-01
gam= 0.382 g(H,U,f)= 0.321E-02 0.995E-02-0.235E-10 ort(H,U,f) = 0.127E-03 0.253E-01-0.704E-10
DMP: 5 -0.384044308213E+02 -0.15178E-01 -0.91516E-02 4200 0.132E-01 0.255E-01
gam= 0.382 g(H,U,f)= 0.201E-02 0.452E-02 0.189E-10 ort(H,U,f) = 0.562E-03 0.127E-01-0.112E-10
DMP: 6 -0.384116510492E+02 -0.72202E-02 -0.46356E-02 4200 0.653E-02 0.132E-01
gam= 0.382 g(H,U,f)= 0.747E-03 0.209E-02 0.382E-10 ort(H,U,f) = 0.667E-03 0.615E-02 0.295E-10
DMP: 7 -0.384153244724E+02 -0.36734E-02 -0.21775E-02 4200 0.284E-02 0.681E-02
gam= 0.382 g(H,U,f)= 0.313E-03 0.991E-03 0.266E-10 ort(H,U,f) = 0.368E-03 0.298E-02 0.420E-10
DMP: 8 -0.384170764998E+02 -0.17520E-02 -0.10335E-02 4200 0.130E-02 0.335E-02
gam= 0.382 g(H,U,f)= 0.841E-04 0.468E-03 0.117E-10 ort(H,U,f) = 0.125E-03 0.144E-02 0.282E-10
DMP: 9 -0.384179013593E+02 -0.82486E-03 -0.45950E-03 4200 0.552E-03 0.156E-02
gam= 0.382 g(H,U,f)= 0.388E-04 0.220E-03 0.504E-11 ort(H,U,f) = 0.396E-04 0.686E-03 0.147E-10
DMP: 10 -0.384182741127E+02 -0.37275E-03 -0.21457E-03 4200 0.259E-03 0.726E-03
gam= 0.382 g(H,U,f)= 0.995E-05 0.103E-03 0.314E-11 ort(H,U,f) = 0.120E-04 0.326E-03 0.841E-11
DMP: 11 -0.384184479523E+02 -0.17384E-03 -0.96623E-04 4200 0.113E-03 0.338E-03
gam= 0.382 g(H,U,f)= 0.522E-05 0.478E-04 0.292E-11 ort(H,U,f) = 0.277E-05 0.154E-03 0.612E-11
DMP: 12 -0.384185274523E+02 -0.79500E-04 -0.45110E-04 4200 0.530E-04 0.156E-03
gam= 0.382 g(H,U,f)= 0.148E-05 0.224E-04 0.293E-11 ort(H,U,f) = 0.787E-06 0.726E-04 0.526E-11
DMP: 13 -0.384185648164E+02 -0.37364E-04 -0.20769E-04 4200 0.239E-04 0.733E-04
gam= 0.382 g(H,U,f)= 0.915E-06 0.105E-04 0.281E-11 ort(H,U,f) = 0.119E-06 0.342E-04 0.483E-11
DMP: 14 -0.384185822076E+02 -0.17391E-04 -0.98310E-05 4200 0.115E-04 0.344E-04
gam= 0.382 g(H,U,f)= 0.374E-06 0.492E-05 0.249E-11 ort(H,U,f) = 0.296E-06 0.161E-04 0.438E-11
DMP: 15 -0.384185905503E+02 -0.83427E-05 -0.46207E-05 4200 0.530E-05 0.164E-04
final diagonalization
1 F= -.38418591E+02 E0= -.38420040E+02 d E =0.434843E-02 mag= 0.0000