Intel(R) Parallel Studio XE 2018 for Linux*
Copyright (C) 2009-2017 Intel Corporation. All rights reserved.
=========================================================
SLURM job: submitted date = Tue 1 Sep 09:12:29 BST 2020
Executable file:
MPI parallel job.
-------------
Job output begins
-----------------

node109.pri.barkla.alces.network
Print the following environmetal variables:
Job name                     : STO-SNO
Job ID                       : 33950012
Job user                     : msd30
Job array index              : 
Submit directory             : /mnt/lustre/users/msd30/Projects/TCCs/CorrelatedMetals/SrTiO3-SrNbO3/SCAN/6-6/Relaxation
Temporary directory          : /tmp
Submit host                  : login2.pri.barkla.alces.network
Queue/Partition name         : rosseinsky
Node list                    : node[109,112]
Hostname of 1st node         : node109.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

 ----------------------------------------------------------------------------- 
|                                                                             |
|  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     0.433397255247E+04    0.43340E+04   -0.27341E+05 12896   0.173E+03
DAV:   2    -0.174683948691E+04   -0.60808E+04   -0.58195E+04 15088   0.550E+02
DAV:   3    -0.264130112206E+04   -0.89446E+03   -0.88437E+03 17992   0.208E+02
DAV:   4    -0.272694541099E+04   -0.85644E+02   -0.84881E+02 21464   0.644E+01
DAV:   5    -0.273761020553E+04   -0.10665E+02   -0.10580E+02 22968   0.150E+01
DAV:   6    -0.273823726508E+04   -0.62706E+00   -0.59747E+00 21616   0.449E+00
DAV:   7    -0.273831976009E+04   -0.82495E-01   -0.72320E-01 22808   0.101E+00
DAV:   8    -0.273834837203E+04   -0.28612E-01   -0.25821E-01 20832   0.262E-01    0.858E+01
DAV:   9    -0.245304970801E+04    0.28530E+03   -0.41211E+02 18416   0.610E+01    0.415E+01
DAV:  10    -0.246196931485E+04   -0.89196E+01   -0.13198E+02 18224   0.253E+01    0.320E+01
DAV:  11    -0.245747656778E+04    0.44927E+01   -0.27745E+01 18584   0.150E+01    0.156E+01
DAV:  12    -0.245829400147E+04   -0.81743E+00   -0.23979E+01 18352   0.976E+00    0.851E+00
DAV:  13    -0.245664561759E+04    0.16484E+01   -0.77888E+00 17280   0.636E+00    0.457E+00
DAV:  14    -0.245648274021E+04    0.16288E+00   -0.21604E+00 18616   0.315E+00    0.317E+00
DAV:  15    -0.245641868795E+04    0.64052E-01   -0.10582E+00 18760   0.188E+00    0.217E+00
DAV:  16    -0.245634912634E+04    0.69562E-01   -0.53805E-01 17560   0.165E+00    0.141E+00
DAV:  17    -0.245628983423E+04    0.59292E-01   -0.19279E-01 18136   0.108E+00    0.736E-01
DAV:  18    -0.245626812854E+04    0.21706E-01   -0.95375E-02 18384   0.601E-01    0.636E-01
DAV:  19    -0.245623990840E+04    0.28220E-01   -0.30832E-02 16808   0.385E-01    0.436E-01
DAV:  20    -0.245619556660E+04    0.44342E-01   -0.19676E-02 15568   0.448E-01    0.368E-01
DAV:  21    -0.245616464279E+04    0.30924E-01   -0.16952E-02 17744   0.344E-01    0.287E-01
DAV:  22    -0.245613411667E+04    0.30526E-01   -0.15909E-02 15328   0.339E-01    0.317E-01
DAV:  23    -0.245610580746E+04    0.28309E-01   -0.11286E-02 16816   0.257E-01    0.272E-01
DAV:  24    -0.245605113368E+04    0.54674E-01   -0.36943E-02 15520   0.528E-01    0.326E-01
DAV:  25    -0.245602632273E+04    0.24811E-01   -0.15881E-02 16168   0.281E-01    0.263E-01
DAV:  26    -0.245602332392E+04    0.29988E-02   -0.30924E-03 17008   0.120E-01    0.224E-01
DAV:  27    -0.245598412358E+04    0.39200E-01   -0.14437E-02 14320   0.290E-01    0.255E-01
DAV:  28    -0.245596751735E+04    0.16606E-01   -0.64222E-03 17376   0.185E-01    0.208E-01
DAV:  29    -0.245595210233E+04    0.15415E-01   -0.29359E-03 17472   0.161E-01    0.205E-01
DAV:  30    -0.245593857981E+04    0.13523E-01   -0.35435E-03 16632   0.155E-01    0.185E-01
DAV:  31    -0.245592797863E+04    0.10601E-01   -0.20741E-03 16560   0.124E-01    0.135E-01
DAV:  32    -0.245592049891E+04    0.74797E-02   -0.94720E-04 17296   0.692E-02    0.125E-01
DAV:  33    -0.245591170524E+04    0.87937E-02   -0.10366E-03 15168   0.994E-02    0.110E-01
DAV:  34    -0.245590494497E+04    0.67603E-02   -0.14230E-03 16816   0.700E-02    0.108E-01
DAV:  35    -0.245590166195E+04    0.32830E-02   -0.68689E-04 14152   0.715E-02    0.110E-01
DAV:  36    -0.245590085982E+04    0.80214E-03   -0.10561E-04 16048   0.212E-02    0.109E-01
DAV:  37    -0.245590129092E+04   -0.43111E-03   -0.56771E-05 14928   0.173E-02    0.108E-01
DAV:  38    -0.245590140181E+04   -0.11089E-03   -0.99607E-06 16160   0.747E-03    0.109E-01
DAV:  39    -0.245590149065E+04   -0.88835E-04   -0.39280E-06 15120   0.424E-03    0.109E-01
DAV:  40    -0.245590106174E+04    0.42890E-03   -0.13774E-05 14144   0.798E-03    0.109E-01
DAV:  41    -0.245589404597E+04    0.70158E-02   -0.68513E-04 13968   0.699E-02    0.141E-01
DAV:  42    -0.245589691099E+04   -0.28650E-02   -0.41932E-04 13504   0.558E-02    0.153E-01
DAV:  43    -0.245588833121E+04    0.85798E-02   -0.13458E-03 14808   0.769E-02    0.190E-01
DAV:  44    -0.245586821901E+04    0.20112E-01   -0.57873E-03 13800   0.136E-01    0.304E-01
DAV:  45    -0.245586779209E+04    0.42692E-03   -0.15882E-03 14184   0.775E-02    0.286E-01
DAV:  46    -0.245586298280E+04    0.48093E-02   -0.21812E-03 14232   0.522E-02    0.322E-01
DAV:  47    -0.245586275761E+04    0.22519E-03   -0.44031E-03 13488   0.124E-01    0.246E-01
DAV:  48    -0.245585532979E+04    0.74278E-02   -0.98689E-03 16008   0.902E-02    0.330E-01
DAV:  49    -0.245586009316E+04   -0.47634E-02   -0.16173E-02 14408   0.164E-01    0.299E-01
DAV:  50    -0.245586106471E+04   -0.97155E-03   -0.74967E-03 17128   0.113E-01    0.211E-01
DAV:  51    -0.245586258921E+04   -0.15245E-02   -0.26107E-03 15576   0.637E-02    0.186E-01
DAV:  52    -0.245586192691E+04    0.66230E-03   -0.63965E-03 14912   0.112E-01    0.138E-01
DAV:  53    -0.245585623392E+04    0.56930E-02   -0.14072E-02 15072   0.176E-01    0.190E-01
DAV:  54    -0.245585353791E+04    0.26960E-02   -0.68392E-03 17376   0.121E-01    0.165E-01
DAV:  55    -0.245585017934E+04    0.33586E-02   -0.32559E-03 16672   0.105E-01    0.151E-01
DAV:  56    -0.245585527155E+04   -0.50922E-02   -0.34400E-02 15352   0.130E-01    0.302E-01
DAV:  57    -0.245584777864E+04    0.74929E-02   -0.94636E-03 13568   0.822E-02    0.218E-01
DAV:  58    -0.245584892211E+04   -0.11435E-02   -0.42803E-03 14688   0.791E-02    0.246E-01
DAV:  59    -0.245584298500E+04    0.59371E-02   -0.76688E-03 14296   0.160E-01    0.293E-01
DAV:  60    -0.245583616870E+04    0.68163E-02   -0.70753E-03 14400   0.116E-01    0.168E-01
DAV:  61    -0.245583656657E+04   -0.39787E-03   -0.11804E-03 14488   0.605E-02    0.182E-01
DAV:  62    -0.245583192149E+04    0.46451E-02   -0.22163E-03 16000   0.514E-02    0.156E-01
DAV:  63    -0.245583089477E+04    0.10267E-02   -0.61892E-04 14464   0.473E-02    0.154E-01
DAV:  64    -0.245583325929E+04   -0.23645E-02   -0.16536E-03 14144   0.635E-02    0.203E-01
DAV:  65    -0.245582878358E+04    0.44757E-02   -0.36650E-03 13936   0.475E-02    0.121E-01
DAV:  66    -0.245582893582E+04   -0.15224E-03   -0.56511E-04 14224   0.382E-02    0.125E-01
DAV:  67    -0.245582905885E+04   -0.12303E-03   -0.94541E-05 14016   0.145E-02    0.124E-01
DAV:  68    -0.245582642593E+04    0.26329E-02   -0.36121E-04 14160   0.306E-02    0.117E-01
DAV:  69    -0.245582394599E+04    0.24799E-02   -0.13769E-03 15048   0.606E-02    0.160E-01
DAV:  70    -0.245582108067E+04    0.28653E-02   -0.73581E-04 14128   0.448E-02    0.120E-01
DAV:  71    -0.245582038751E+04    0.69316E-03   -0.59109E-04 15080   0.316E-02    0.139E-01
DAV:  72    -0.245581478204E+04    0.56055E-02   -0.12724E-03 14024   0.559E-02    0.124E-01
DAV:  73    -0.245581093447E+04    0.38476E-02   -0.79256E-04 14232   0.531E-02    0.718E-02
DAV:  74    -0.245580953489E+04    0.13996E-02   -0.16727E-03 16008   0.463E-02    0.523E-02
DAV:  75    -0.245581012111E+04   -0.58622E-03   -0.13674E-03 13360   0.675E-02    0.542E-02
DAV:  76    -0.245581022225E+04   -0.10114E-03   -0.12014E-03 13984   0.649E-02    0.538E-02
DAV:  77    -0.245581084823E+04   -0.62598E-03   -0.68907E-04 14904   0.503E-02    0.785E-02
DAV:  78    -0.245581157932E+04   -0.73109E-03   -0.77341E-04 13736   0.101E-01    0.811E-02
DAV:  79    -0.245581147464E+04    0.10468E-03   -0.31394E-03 13984   0.832E-02    0.284E-02
DAV:  80    -0.245581119161E+04    0.28303E-03   -0.15590E-03 13696   0.916E-02    0.286E-02
DAV:  81    -0.245581151840E+04   -0.32679E-03   -0.69529E-04 13560   0.467E-02    0.254E-02
DAV:  82    -0.245581160375E+04   -0.85352E-04   -0.92803E-04 13576   0.461E-02    0.932E-03
DAV:  83    -0.245581175849E+04   -0.15473E-03   -0.59130E-04 13336   0.375E-02    0.662E-03
DAV:  84    -0.245581182121E+04   -0.62726E-04   -0.48606E-04 13760   0.313E-02    0.190E-02
DAV:  85    -0.245581190753E+04   -0.86319E-04   -0.40426E-04 13392   0.340E-02    0.820E-03
DAV:  86    -0.245581193117E+04   -0.23634E-04   -0.56299E-04 13168   0.356E-02    0.482E-03
DAV:  87    -0.245581201788E+04   -0.86715E-04   -0.53513E-04 13272   0.392E-02    0.934E-03
DAV:  88    -0.245581199043E+04    0.27455E-04   -0.23882E-04 13216   0.252E-02    0.418E-03
DAV:  89    -0.245581197699E+04    0.13439E-04   -0.22227E-04 13048   0.275E-02    0.133E-03
DAV:  90    -0.245581199894E+04   -0.21948E-04   -0.22805E-04 12968   0.281E-02    0.151E-03
DAV:  91    -0.245581200155E+04   -0.26148E-05   -0.20752E-04 13056   0.238E-02    0.362E-03
DAV:  92    -0.245581200874E+04   -0.71861E-05   -0.26322E-04 12992   0.296E-02    0.494E-03
DAV:  93    -0.245581200206E+04    0.66785E-05   -0.21795E-04 12976   0.233E-02    0.313E-03
DAV:  94    -0.245581199867E+04    0.33851E-05   -0.24536E-04 12944   0.245E-02    0.869E-04
DAV:  95    -0.245581200104E+04   -0.23668E-05   -0.25552E-04 12952   0.260E-02    0.123E-03
DAV:  96    -0.245581200431E+04   -0.32676E-05   -0.27089E-04 12952   0.260E-02    0.109E-03
DAV:  97    -0.245581200411E+04    0.19383E-06   -0.27790E-04 12912   0.257E-02    0.336E-04
DAV:  98    -0.245581200748E+04   -0.33683E-05   -0.30197E-04 12896   0.274E-02    0.101E-03
DAV:  99    -0.245581200764E+04   -0.15424E-06   -0.29639E-04 12896   0.268E-02    0.993E-04
DAV: 100    -0.245581201078E+04   -0.31470E-05   -0.31281E-04 12896   0.275E-02    0.134E-03
DAV: 101    -0.245581200888E+04    0.19021E-05   -0.32312E-04 12880   0.276E-02    0.681E-04
DAV: 102    -0.245581201179E+04   -0.29089E-05   -0.34758E-04 12864   0.286E-02    0.360E-04
DAV: 103    -0.245581200775E+04    0.40444E-05   -0.34766E-04 12864   0.281E-02    0.159E-04
DAV: 104    -0.245581201227E+04   -0.45283E-05   -0.36126E-04 12864   0.285E-02    0.251E-04
DAV: 105    -0.245581200782E+04    0.44514E-05   -0.36143E-04 12864   0.283E-02    0.158E-04
DAV: 106    -0.245581201273E+04   -0.49114E-05   -0.36727E-04 12864   0.285E-02    0.247E-04
DAV: 107    -0.245581200801E+04    0.47251E-05   -0.36688E-04 12864   0.283E-02    0.227E-04
DAV: 108    -0.245581201277E+04   -0.47620E-05   -0.36858E-04 12856   0.284E-02    0.144E-04
DAV: 109    -0.245581200798E+04    0.47920E-05   -0.36833E-04 12848   0.284E-02    0.146E-04
DAV: 110    -0.245581201243E+04   -0.44460E-05   -0.36491E-04 12824   0.283E-02    0.999E-05
DAV: 111    -0.245581200780E+04    0.46235E-05   -0.36233E-04 12832   0.282E-02    0.206E-04
DAV: 112    -0.245581201178E+04   -0.39745E-05   -0.35485E-04 12816   0.279E-02    0.105E-04
DAV: 113    -0.245581200764E+04    0.41350E-05   -0.35238E-04 12816   0.280E-02    0.267E-04
DAV: 114    -0.245581201130E+04   -0.36550E-05   -0.34659E-04 12816   0.277E-02    0.136E-04
DAV: 115    -0.245581200752E+04    0.37772E-05   -0.34573E-04 12816   0.278E-02    0.227E-04
DAV: 116    -0.245581201095E+04   -0.34302E-05   -0.34248E-04 12816   0.276E-02    0.191E-04
DAV: 117    -0.245581200747E+04    0.34791E-05   -0.34216E-04 12816   0.277E-02    0.248E-04
DAV: 118    -0.245581201071E+04   -0.32412E-05   -0.33986E-04 12800   0.276E-02    0.185E-04
DAV: 119    -0.245581200753E+04    0.31770E-05   -0.34006E-04 12800   0.277E-02    0.260E-04
DAV: 120    -0.245581201058E+04   -0.30410E-05   -0.33915E-04 12800   0.275E-02    0.206E-04
DAV: 121    -0.245581200765E+04    0.29273E-05   -0.33991E-04 12800   0.277E-02    0.254E-04
DAV: 122    -0.245581201049E+04   -0.28399E-05   -0.33955E-04 12800   0.275E-02    0.207E-04
DAV: 123    -0.245581200779E+04    0.26977E-05   -0.34049E-04 12800   0.277E-02    0.256E-04
DAV: 124    -0.245581201039E+04   -0.26017E-05   -0.34040E-04 12800   0.276E-02    0.204E-04
DAV: 125    -0.245581200794E+04    0.24506E-05   -0.34134E-04 12800   0.278E-02    0.264E-04
DAV: 126    -0.245581201032E+04   -0.23817E-05   -0.34108E-04 12800   0.276E-02    0.203E-04
DAV: 127    -0.245581200811E+04    0.22123E-05   -0.34240E-04 12800   0.278E-02    0.260E-04
DAV: 128    -0.245581201024E+04   -0.21271E-05   -0.34220E-04 12800   0.276E-02    0.207E-04
DAV: 129    -0.245581200829E+04    0.19475E-05   -0.34378E-04 12800   0.278E-02    0.256E-04
DAV: 130    -0.245581201016E+04   -0.18721E-05   -0.34344E-04 12784   0.276E-02    0.214E-04
DAV: 131    -0.245581200849E+04    0.16728E-05   -0.34531E-04 12784   0.278E-02    0.263E-04
DAV: 132    -0.245581201007E+04   -0.15788E-05   -0.34464E-04 12784   0.276E-02    0.209E-04
DAV: 133    -0.245581200867E+04    0.13950E-05   -0.34642E-04 12784   0.278E-02    0.268E-04
DAV: 134    -0.245581200996E+04   -0.12861E-05   -0.34547E-04 12784   0.276E-02    0.205E-04
DAV: 135    -0.245581200882E+04    0.11367E-05   -0.34675E-04 12784   0.277E-02    0.267E-04
DAV: 136    -0.245581200981E+04   -0.98223E-06   -0.34553E-04 12784   0.275E-02    0.201E-04
DAV: 137    -0.245581200891E+04    0.89617E-06   -0.34638E-04 12784   0.276E-02    0.268E-04
DAV: 138    -0.245581200964E+04   -0.72562E-06   -0.34463E-04 12784   0.274E-02    0.191E-04
DAV: 139    -0.245581200895E+04    0.68411E-06   -0.34503E-04 12784   0.275E-02    0.284E-04
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DAV: 141    -0.245581200894E+04    0.49246E-06   -0.34284E-04 12784   0.273E-02    0.282E-04
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DAV: 200    -0.245581201126E+04    0.30247E-05   -0.42835E-04 12768   0.299E-02
   1 F= -.24558120E+04 E0= -.24557812E+04  d E =-.616372E-01

---------------
Job output ends
=========================================================
SLURM job: finished date = Tue 1 Sep 11:59:18 BST 2020
Total run time : 2 Hours 46 Minutes 49 Seconds
=========================================================
