Intel(R) Parallel Studio XE 2018 for Linux*
Copyright (C) 2009-2017 Intel Corporation. All rights reserved.
=========================================================
SLURM job: submitted date = Thu 3 Sep 10:44:48 BST 2020
Executable file:
MPI parallel job.
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Job output begins
-----------------

himem01.pri.barkla.alces.network
Print the following environmetal variables:
Job name                     : STO-SNO
Job ID                       : 33970908
Job user                     : msd30
Job array index              : 
Submit directory             : /mnt/lustre/users/msd30/Projects/TCCs/CorrelatedMetals/SrTiO3-SrNbO3/SCAN/6-6/PDOS/24x24x1
Temporary directory          : /tmp
Submit host                  : login1.pri.barkla.alces.network
Queue/Partition name         : himem
Node list                    : himem[01-02]
Hostname of 1st node         : himem01.pri.barkla.alces.network
Number of nodes allocated    : 2 or 2
Number of processes          : 80
Number of processes per node : 40(x2)
Requested tasks per node     : 
Requested CPUs per task      : 
Scheduling priority          : 0
Running parallel job:
 running on   80 total cores
 distrk:  each k-point on   80 cores,    1 groups
 distr:  one band on   10 cores,    8 groups
 using from now: INCAR     
 vasp.5.4.4.18Apr17-6-g9f103f2a35 (build Feb 01 2018 10:38:23) complex          
  
 POSCAR found type information on POSCAR  Nb O  Sr Ti
 POSCAR found :  4 types and      62 ions
 scaLAPACK will be used

 ----------------------------------------------------------------------------- 
|                                                                             |
|           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   !!!           |
|                                                                             |
|      For LVTOT=.TRUE. VASP.5.x writes the TOTAL local potential to          |
|      the file LOCPOT. If you want the Hartree contributions only, use       |
|      LVHAR=.TRUE. instead.                                                  |
|                                                                             |
 ----------------------------------------------------------------------------- 


 ----------------------------------------------------------------------------- 
|                                                                             |
|  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 opertators     |
|      So try LREAL= Auto  in the INCAR   file.                               |
|      Mind:          For very  accurate calculation you might also keep the  |
|      reciprocal projection scheme          (i.e. LREAL=.FALSE.)             |
|                                                                             |
 ----------------------------------------------------------------------------- 


 ----------------------------------------------------------------------------- 
|                                                                             |
|  ADVICE TO THIS USER RUNNING 'VASP/VAMP'   (HEAR YOUR MASTER'S VOICE ...):  |
|                                                                             |
|      You enforced a specific xc-type in the INCAR file,                     |
|      a different type was found on the POTCAR file                          |
|          I HOPE YOU KNOW, WHAT YOU ARE  DOING                               |
|                                                                             |
 ----------------------------------------------------------------------------- 

 LDA part: xc-table for Pade appr. of Perdew
 POSCAR, INCAR and KPOINTS ok, starting setup
 FFT: planning ...
 WAVECAR not read
 entering main loop
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1     0.433590960154E+04    0.43359E+04   -0.27329E+05 55792   0.173E+03
DAV:   2    -0.175357865502E+04   -0.60895E+04   -0.58318E+04 65832   0.551E+02
DAV:   3    -0.264263073811E+04   -0.88905E+03   -0.87910E+03 78080   0.208E+02
DAV:   4    -0.272695780760E+04   -0.84327E+02   -0.83590E+02 93048   0.637E+01
DAV:   5    -0.273761392468E+04   -0.10656E+02   -0.10580E+02 99664   0.150E+01
DAV:   6    -0.273823546282E+04   -0.62154E+00   -0.58917E+00 93480   0.444E+00
DAV:   7    -0.273832347389E+04   -0.88011E-01   -0.75734E-01 98648   0.100E+00
DAV:   8    -0.273835436045E+04   -0.30887E-01   -0.27085E-01 90144   0.261E-01    0.877E+01
DAV:   9    -0.245303076926E+04    0.28532E+03   -0.41352E+02 79416   0.610E+01    0.420E+01
DAV:  10    -0.246203857708E+04   -0.90078E+01   -0.12843E+02 78728   0.256E+01    0.321E+01
DAV:  11    -0.245739528202E+04    0.46433E+01   -0.27791E+01 80560   0.152E+01    0.154E+01
DAV:  12    -0.245815049093E+04   -0.75521E+00   -0.24588E+01 79872   0.949E+00    0.843E+00
DAV:  13    -0.245664620800E+04    0.15043E+01   -0.79861E+00 74480   0.627E+00    0.455E+00
DAV:  14    -0.245647997063E+04    0.16624E+00   -0.18458E+00 79464   0.306E+00    0.310E+00
DAV:  15    -0.245642805569E+04    0.51915E-01   -0.10092E+00 79624   0.190E+00    0.215E+00
DAV:  16    -0.245635391652E+04    0.74139E-01   -0.48775E-01 75632   0.161E+00    0.131E+00
DAV:  17    -0.245629472137E+04    0.59195E-01   -0.17210E-01 80016   0.962E-01    0.649E-01
DAV:  18    -0.245627127666E+04    0.23445E-01   -0.68705E-02 77984   0.571E-01    0.584E-01
DAV:  19    -0.245624206145E+04    0.29215E-01   -0.24791E-02 74992   0.340E-01    0.442E-01
DAV:  20    -0.245619448159E+04    0.47580E-01   -0.21445E-02 67120   0.471E-01    0.382E-01
DAV:  21    -0.245616486815E+04    0.29613E-01   -0.12684E-02 78344   0.295E-01    0.304E-01
DAV:  22    -0.245613878666E+04    0.26081E-01   -0.87566E-03 65784   0.263E-01    0.297E-01
DAV:  23    -0.245608122320E+04    0.57563E-01   -0.22889E-02 63992   0.454E-01    0.253E-01
DAV:  24    -0.245604361286E+04    0.37610E-01   -0.21404E-02 68088   0.364E-01    0.248E-01
DAV:  25    -0.245603415787E+04    0.94550E-02   -0.74964E-03 79328   0.212E-01    0.230E-01
DAV:  26    -0.245601765173E+04    0.16506E-01   -0.36377E-03 64104   0.145E-01    0.171E-01
DAV:  27    -0.245598187059E+04    0.35781E-01   -0.10777E-02 59592   0.245E-01    0.192E-01
DAV:  28    -0.245597156362E+04    0.10307E-01   -0.49010E-03 78760   0.144E-01    0.147E-01
DAV:  29    -0.245594432100E+04    0.27243E-01   -0.84641E-03 65896   0.235E-01    0.171E-01
DAV:  30    -0.245593459919E+04    0.97218E-02   -0.40406E-03 71656   0.137E-01    0.124E-01
DAV:  31    -0.245592660415E+04    0.79950E-02   -0.14198E-03 73944   0.819E-02    0.109E-01
DAV:  32    -0.245592023127E+04    0.63729E-02   -0.68067E-04 57984   0.735E-02    0.101E-01
DAV:  33    -0.245591398066E+04    0.62506E-02   -0.13520E-03 56480   0.703E-02    0.104E-01
DAV:  34    -0.245591353897E+04    0.44170E-03   -0.25954E-04 52216   0.387E-02    0.100E-01
DAV:  35    -0.245591290176E+04    0.63720E-03   -0.47101E-05 45600   0.138E-02    0.101E-01
DAV:  36    -0.245591182575E+04    0.10760E-02   -0.45289E-05 39488   0.176E-02    0.101E-01
DAV:  37    -0.245591040431E+04    0.14214E-02   -0.61901E-05 41552   0.184E-02    0.101E-01
DAV:  38    -0.245590984964E+04    0.55468E-03   -0.18440E-05 36840   0.115E-02    0.102E-01
DAV:  39    -0.245590972918E+04    0.12045E-03   -0.88547E-06 35312   0.721E-03    0.102E-01
DAV:  40    -0.245590862311E+04    0.11061E-02   -0.17809E-04 40968   0.186E-02    0.991E-02
DAV:  41    -0.245590310687E+04    0.55162E-02   -0.24807E-03 50456   0.417E-02    0.128E-01
DAV:  42    -0.245589915447E+04    0.39524E-02   -0.23660E-04 52080   0.362E-02    0.126E-01
DAV:  43    -0.245588578659E+04    0.13368E-01   -0.46470E-03 57776   0.953E-02    0.232E-01
DAV:  44    -0.245587646724E+04    0.93193E-02   -0.38243E-02 60840   0.210E-01    0.437E-01
DAV:  45    -0.245587858921E+04   -0.21220E-02   -0.90876E-03 71776   0.114E-01    0.412E-01
DAV:  46    -0.245588089922E+04   -0.23100E-02   -0.39282E-03 62248   0.590E-02    0.381E-01
DAV:  47    -0.245588298366E+04   -0.20844E-02   -0.48237E-03 58160   0.691E-02    0.375E-01
DAV:  48    -0.245587935732E+04    0.36263E-02   -0.21317E-02 61064   0.152E-01    0.149E-01
DAV:  49    -0.245588132446E+04   -0.19671E-02   -0.21634E-02 68384   0.896E-02    0.311E-01
DAV:  50    -0.245587535849E+04    0.59660E-02   -0.15509E-02 54200   0.872E-02    0.192E-01
DAV:  51    -0.245586625100E+04    0.91075E-02   -0.27361E-02 65288   0.236E-01    0.154E-01
DAV:  52    -0.245586620681E+04    0.44186E-04   -0.87984E-03 66096   0.981E-02    0.962E-02
DAV:  53    -0.245586240092E+04    0.38059E-02   -0.88063E-03 58440   0.111E-01    0.176E-01
DAV:  54    -0.245585980746E+04    0.25935E-02   -0.67326E-03 62528   0.150E-01    0.108E-01
DAV:  55    -0.245585516035E+04    0.46471E-02   -0.10258E-02 59744   0.117E-01    0.178E-01
DAV:  56    -0.245585321384E+04    0.19465E-02   -0.21707E-02 63600   0.125E-01    0.111E-01
DAV:  57    -0.245584484282E+04    0.83710E-02   -0.20510E-02 58088   0.106E-01    0.111E-01
DAV:  58    -0.245584546754E+04   -0.62472E-03   -0.35517E-03 56808   0.611E-02    0.104E-01
DAV:  59    -0.245584076696E+04    0.47006E-02   -0.24999E-03 55800   0.717E-02    0.110E-01
DAV:  60    -0.245583824208E+04    0.25249E-02   -0.28295E-03 53504   0.494E-02    0.104E-01
DAV:  61    -0.245583829972E+04   -0.57637E-04   -0.89464E-04 47592   0.473E-02    0.104E-01
DAV:  62    -0.245583794017E+04    0.35955E-03   -0.59783E-04 46968   0.341E-02    0.101E-01
DAV:  63    -0.245583808139E+04   -0.14122E-03   -0.44834E-03 51328   0.554E-02    0.134E-01
DAV:  64    -0.245583643716E+04    0.16442E-02   -0.55975E-04 53760   0.440E-02    0.139E-01
DAV:  65    -0.245583538276E+04    0.10544E-02   -0.13491E-04 46520   0.287E-02    0.132E-01
DAV:  66    -0.245583361489E+04    0.17679E-02   -0.15870E-04 47992   0.265E-02    0.124E-01
DAV:  67    -0.245582870845E+04    0.49064E-02   -0.11864E-03 53464   0.470E-02    0.106E-01
DAV:  68    -0.245582546524E+04    0.32432E-02   -0.16711E-02 58208   0.787E-02    0.913E-02
DAV:  69    -0.245582251425E+04    0.29510E-02   -0.25910E-03 56744   0.725E-02    0.567E-02
DAV:  70    -0.245582300621E+04   -0.49196E-03   -0.12717E-03 50496   0.432E-02    0.806E-02
DAV:  71    -0.245582238847E+04    0.61774E-03   -0.10367E-03 50408   0.431E-02    0.609E-02
DAV:  72    -0.245582290306E+04   -0.51459E-03   -0.50279E-04 48528   0.362E-02    0.347E-02
DAV:  73    -0.245582395740E+04   -0.10543E-02   -0.10952E-03 55968   0.810E-02    0.165E-02
DAV:  74    -0.245582449057E+04   -0.53318E-03   -0.75541E-04 51000   0.596E-02    0.220E-02
DAV:  75    -0.245582476027E+04   -0.26969E-03   -0.58406E-04 49664   0.571E-02    0.160E-02
DAV:  76    -0.245582500759E+04   -0.24732E-03   -0.25358E-04 47856   0.408E-02    0.209E-02
DAV:  77    -0.245582511276E+04   -0.10518E-03   -0.39139E-04 45504   0.346E-02    0.116E-02
DAV:  78    -0.245582509297E+04    0.19790E-04   -0.82177E-04 45912   0.453E-02    0.867E-03
DAV:  79    -0.245582516290E+04   -0.69930E-04   -0.48642E-04 45800   0.425E-02    0.691E-03
DAV:  80    -0.245582516831E+04   -0.54074E-05   -0.27199E-04 43960   0.285E-02
   1 F= -.24558252E+04 E0= -.24557987E+04  d E =-.529108E-01

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Job output ends
=========================================================
SLURM job: finished date = Thu 3 Sep 16:30:34 BST 2020
Total run time : 5 Hours 45 Minutes 46 Seconds
=========================================================
