Intel(R) Parallel Studio XE 2018 for Linux*
Copyright (C) 2009-2017 Intel Corporation. All rights reserved.
=========================================================
SLURM job: submitted date = Mon 31 Aug 14:48:17 BST 2020
Executable file:
MPI parallel job.
-------------
Job output begins
-----------------

node034.pri.barkla.alces.network
Print the following environmetal variables:
Job name                     : STO-SNO
Job ID                       : 33948880
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[034-035]
Hostname of 1st node         : node034.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     0.433397251226E+04    0.43340E+04   -0.27341E+05 12896   0.173E+03
DAV:   2    -0.174683949701E+04   -0.60808E+04   -0.58195E+04 15088   0.550E+02
DAV:   3    -0.264130112428E+04   -0.89446E+03   -0.88437E+03 17992   0.208E+02
DAV:   4    -0.272694541234E+04   -0.85644E+02   -0.84881E+02 21464   0.644E+01
DAV:   5    -0.273761020645E+04   -0.10665E+02   -0.10580E+02 22968   0.150E+01
DAV:   6    -0.273823726602E+04   -0.62706E+00   -0.59747E+00 21616   0.449E+00
DAV:   7    -0.273831976105E+04   -0.82495E-01   -0.72320E-01 22808   0.101E+00
DAV:   8    -0.273834837297E+04   -0.28612E-01   -0.25821E-01 20832   0.262E-01    0.858E+01
DAV:   9    -0.245304970826E+04    0.28530E+03   -0.41211E+02 18416   0.610E+01    0.415E+01
DAV:  10    -0.246196931757E+04   -0.89196E+01   -0.13198E+02 18224   0.253E+01    0.320E+01
DAV:  11    -0.245747656457E+04    0.44928E+01   -0.27745E+01 18584   0.150E+01    0.156E+01
DAV:  12    -0.245829400118E+04   -0.81744E+00   -0.23979E+01 18352   0.976E+00    0.851E+00
DAV:  13    -0.245664561817E+04    0.16484E+01   -0.77888E+00 17280   0.636E+00    0.457E+00
DAV:  14    -0.245648274060E+04    0.16288E+00   -0.21604E+00 18616   0.315E+00    0.317E+00
DAV:  15    -0.245641868828E+04    0.64052E-01   -0.10582E+00 18760   0.188E+00    0.217E+00
DAV:  16    -0.245634912685E+04    0.69561E-01   -0.53805E-01 17560   0.165E+00    0.141E+00
DAV:  17    -0.245628983438E+04    0.59292E-01   -0.19279E-01 18136   0.108E+00    0.736E-01
DAV:  18    -0.245626812874E+04    0.21706E-01   -0.95374E-02 18384   0.601E-01    0.636E-01
DAV:  19    -0.245623990875E+04    0.28220E-01   -0.30832E-02 16808   0.385E-01    0.436E-01
DAV:  20    -0.245619556646E+04    0.44342E-01   -0.19676E-02 15568   0.448E-01    0.368E-01
DAV:  21    -0.245616464285E+04    0.30924E-01   -0.16952E-02 17744   0.344E-01    0.287E-01
DAV:  22    -0.245613411664E+04    0.30526E-01   -0.15910E-02 15328   0.339E-01    0.317E-01
DAV:  23    -0.245610580859E+04    0.28308E-01   -0.11285E-02 16816   0.257E-01    0.272E-01
DAV:  24    -0.245605113466E+04    0.54674E-01   -0.36943E-02 15520   0.528E-01    0.326E-01
DAV:  25    -0.245602632249E+04    0.24812E-01   -0.15881E-02 16168   0.281E-01    0.263E-01
DAV:  26    -0.245602331883E+04    0.30037E-02   -0.30914E-03 17000   0.120E-01    0.224E-01
DAV:  27    -0.245598413267E+04    0.39186E-01   -0.14430E-02 14320   0.290E-01    0.255E-01
DAV:  28    -0.245596751772E+04    0.16615E-01   -0.64240E-03 17376   0.185E-01    0.208E-01
DAV:  29    -0.245595210934E+04    0.15408E-01   -0.29361E-03 17472   0.161E-01    0.205E-01
DAV:  30    -0.245593858578E+04    0.13524E-01   -0.35417E-03 16632   0.155E-01    0.185E-01
DAV:  31    -0.245592797609E+04    0.10610E-01   -0.20747E-03 16544   0.124E-01    0.135E-01
DAV:  32    -0.245592049633E+04    0.74798E-02   -0.94916E-04 17312   0.692E-02    0.125E-01
DAV:  33    -0.245591171398E+04    0.87823E-02   -0.10344E-03 15160   0.993E-02    0.110E-01
DAV:  34    -0.245590494717E+04    0.67668E-02   -0.14245E-03 16816   0.701E-02    0.108E-01
DAV:  35    -0.245590165652E+04    0.32907E-02   -0.68745E-04 14152   0.715E-02    0.110E-01
DAV:  36    -0.245590086567E+04    0.79085E-03   -0.10559E-04 16056   0.212E-02    0.109E-01
DAV:  37    -0.245590128392E+04   -0.41824E-03   -0.56607E-05 14976   0.172E-02    0.108E-01
DAV:  38    -0.245590146910E+04   -0.18519E-03   -0.12485E-05 15040   0.805E-03    0.110E-01
DAV:  39    -0.245590142939E+04    0.39715E-04   -0.64446E-06 15648   0.486E-03    0.110E-01
DAV:  40    -0.245590064702E+04    0.78237E-03   -0.78744E-05 14424   0.240E-02    0.111E-01
DAV:  41    -0.245590363460E+04   -0.29876E-02   -0.46043E-04 14616   0.630E-02    0.133E-01
DAV:  42    -0.245589319576E+04    0.10439E-01   -0.26883E-03 14456   0.122E-01    0.188E-01
DAV:  43    -0.245588302743E+04    0.10168E-01   -0.58735E-03 14784   0.172E-01    0.343E-01
DAV:  44    -0.245588347264E+04   -0.44521E-03   -0.14182E-03 14304   0.755E-02    0.360E-01
DAV:  45    -0.245588166653E+04    0.18061E-02   -0.48329E-04 15688   0.449E-02    0.373E-01
DAV:  46    -0.245588208974E+04   -0.42321E-03   -0.27814E-04 14192   0.283E-02    0.387E-01
DAV:  47    -0.245587826056E+04    0.38292E-02   -0.41486E-03 14536   0.105E-01    0.525E-01
DAV:  48    -0.245587756106E+04    0.69950E-03   -0.16128E-03 13968   0.685E-02    0.479E-01
DAV:  49    -0.245587546177E+04    0.20993E-02   -0.24702E-02 14544   0.127E-01    0.719E-01
DAV:  50    -0.245586685069E+04    0.86111E-02   -0.65022E-03 13872   0.105E-01    0.599E-01
DAV:  51    -0.245587689838E+04   -0.10048E-01   -0.29772E-02 15496   0.114E-01    0.897E-01
DAV:  52    -0.245590472074E+04   -0.27822E-01   -0.67613E-02 16672   0.143E-01    0.129E+00
DAV:  53    -0.245588299964E+04    0.21721E-01   -0.13403E-02 14888   0.134E-01    0.115E+00
DAV:  54    -0.245588817005E+04   -0.51704E-02   -0.30560E-02 14336   0.257E-01    0.112E+00
DAV:  55    -0.245590050789E+04   -0.12338E-01   -0.86527E-03 17072   0.106E-01    0.117E+00
DAV:  56    -0.245589862760E+04    0.18803E-02   -0.10564E-03 15544   0.447E-02    0.118E+00
DAV:  57    -0.245591127031E+04   -0.12643E-01   -0.11270E-02 14000   0.125E-01    0.127E+00
DAV:  58    -0.245589613708E+04    0.15133E-01   -0.93725E-03 13816   0.838E-02    0.122E+00
DAV:  59    -0.245598141676E+04   -0.85280E-01   -0.71709E-02 14344   0.198E-01    0.160E+00
DAV:  60    -0.245593267070E+04    0.48746E-01   -0.15380E-01 14968   0.193E-01    0.124E+00
DAV:  61    -0.245587013639E+04    0.62534E-01   -0.15413E-01 14328   0.376E-01    0.922E-01
DAV:  62    -0.245589517960E+04   -0.25043E-01   -0.29115E-02 15520   0.171E-01    0.102E+00
DAV:  63    -0.245589248105E+04    0.26985E-02   -0.33476E-03 13728   0.849E-02    0.103E+00
DAV:  64    -0.245588123942E+04    0.11242E-01   -0.34261E-03 14272   0.703E-02    0.949E-01
DAV:  65    -0.245587922275E+04    0.20167E-02   -0.26140E-03 13384   0.764E-02    0.940E-01
DAV:  66    -0.245587243663E+04    0.67861E-02   -0.17366E-02 13600   0.131E-01    0.909E-01
DAV:  67    -0.245587818915E+04   -0.57525E-02   -0.90669E-03 14392   0.112E-01    0.100E+00
DAV:  68    -0.245587617808E+04    0.20111E-02   -0.26294E-03 13096   0.738E-02    0.981E-01
DAV:  69    -0.245587186580E+04    0.43123E-02   -0.61599E-02 13560   0.323E-01    0.764E-01
DAV:  70    -0.245586585606E+04    0.60097E-02   -0.86981E-03 14584   0.118E-01    0.637E-01
DAV:  71    -0.245586971524E+04   -0.38592E-02   -0.44238E-03 14992   0.523E-02    0.731E-01
DAV:  72    -0.245588772121E+04   -0.18006E-01   -0.37626E-02 13880   0.141E-01    0.843E-01
DAV:  73    -0.245588003965E+04    0.76816E-02   -0.85020E-03 13304   0.804E-02    0.808E-01
DAV:  74    -0.245588764949E+04   -0.76098E-02   -0.67784E-03 14080   0.750E-02    0.872E-01
DAV:  75    -0.245589275867E+04   -0.51092E-02   -0.63756E-03 13592   0.571E-02    0.894E-01
DAV:  76    -0.245589270225E+04    0.56425E-04   -0.46927E-04 17344   0.159E-02    0.895E-01
DAV:  77    -0.245589173700E+04    0.96525E-03   -0.54648E-04 13776   0.216E-02    0.883E-01
DAV:  78    -0.245588666541E+04    0.50716E-02   -0.84148E-03 13728   0.753E-02    0.867E-01
DAV:  79    -0.245590265736E+04   -0.15992E-01   -0.33439E-02 14176   0.134E-01    0.917E-01
DAV:  80    -0.245589671590E+04    0.59415E-02   -0.10388E-02 14096   0.134E-01    0.832E-01
DAV:  81    -0.245590123187E+04   -0.45160E-02   -0.21263E-02 13168   0.124E-01    0.936E-01
DAV:  82    -0.245590636630E+04   -0.51344E-02   -0.66614E-03 13616   0.569E-02    0.954E-01
DAV:  83    -0.245589759717E+04    0.87691E-02   -0.77948E-03 13544   0.762E-02    0.904E-01
DAV:  84    -0.245585913920E+04    0.38458E-01   -0.10719E-01 14160   0.251E-01    0.661E-01
DAV:  85    -0.245587518729E+04   -0.16048E-01   -0.54710E-02 13464   0.201E-01    0.864E-01
DAV:  86    -0.245586817532E+04    0.70120E-02   -0.60947E-03 14720   0.930E-02    0.803E-01
DAV:  87    -0.245587031266E+04   -0.21373E-02   -0.89418E-04 16112   0.411E-02    0.822E-01
DAV:  88    -0.245587160449E+04   -0.12918E-02   -0.10611E-03 13456   0.491E-02    0.850E-01
DAV:  89    -0.245594343886E+04   -0.71834E-01   -0.93749E-02 14224   0.313E-01    0.125E+00
DAV:  90    -0.245594828507E+04   -0.48462E-02   -0.11948E-02 13712   0.151E-01    0.125E+00
DAV:  91    -0.245601486253E+04   -0.66577E-01   -0.39980E-02 15080   0.914E-02    0.162E+00
DAV:  92    -0.245596998358E+04    0.44879E-01   -0.26709E-02 13984   0.891E-02    0.141E+00
DAV:  93    -0.245592856155E+04    0.41422E-01   -0.31511E-02 14008   0.146E-01    0.112E+00
DAV:  94    -0.245591076450E+04    0.17797E-01   -0.28266E-02 14712   0.160E-01    0.945E-01
DAV:  95    -0.245592753992E+04   -0.16775E-01   -0.44941E-03 16704   0.662E-02    0.101E+00
DAV:  96    -0.245590934059E+04    0.18199E-01   -0.72946E-03 13520   0.546E-02    0.973E-01
DAV:  97    -0.245604308166E+04   -0.13374E+00   -0.15502E-01 13840   0.256E-01    0.169E+00
DAV:  98    -0.245598210647E+04    0.60975E-01   -0.37852E-02 14120   0.129E-01    0.147E+00
DAV:  99    -0.245588004057E+04    0.10207E+00   -0.18533E-01 14120   0.202E-01    0.970E-01
DAV: 100    -0.245590094646E+04   -0.20906E-01   -0.14930E-02 13936   0.123E-01    0.112E+00
DAV: 101    -0.245589196254E+04    0.89839E-02   -0.11217E-02 14400   0.137E-01    0.102E+00
DAV: 102    -0.245588004401E+04    0.11919E-01   -0.40198E-03 16544   0.632E-02    0.925E-01
DAV: 103    -0.245589504500E+04   -0.15001E-01   -0.31679E-03 13768   0.445E-02    0.102E+00
DAV: 104    -0.245631379952E+04   -0.41875E+00   -0.84195E-01 14144   0.486E-01    0.205E+00
DAV: 105    -0.245616141236E+04    0.15239E+00   -0.16803E-01 13912   0.237E-01    0.211E+00
DAV: 106    -0.245609195536E+04    0.69457E-01   -0.32715E-02 14648   0.130E-01    0.207E+00
DAV: 107    -0.245599962187E+04    0.92333E-01   -0.12112E-01 14392   0.352E-01    0.143E+00
DAV: 108    -0.245600714280E+04   -0.75209E-02   -0.12530E-01 15320   0.355E-01    0.978E-01
DAV: 109    -0.245589531094E+04    0.11183E+00   -0.14381E+00 15272   0.325E-01    0.847E-01
DAV: 110    -0.245589118704E+04    0.41239E-02   -0.59707E-03 15304   0.122E-01    0.876E-01
DAV: 111    -0.245589155829E+04   -0.37126E-03   -0.10411E-03 16784   0.445E-02    0.864E-01
DAV: 112    -0.245589167079E+04   -0.11250E-03   -0.11205E-04 21456   0.117E-02    0.864E-01
DAV: 113    -0.245589176591E+04   -0.95115E-04   -0.17487E-05 16600   0.587E-03    0.864E-01
DAV: 114    -0.245588973742E+04    0.20285E-02   -0.85118E-04 13856   0.384E-02    0.866E-01
DAV: 115    -0.245588937366E+04    0.36376E-03   -0.96221E-04 13888   0.305E-02    0.850E-01
DAV: 116    -0.245589301015E+04   -0.36365E-02   -0.78511E-04 15592   0.228E-02    0.853E-01
DAV: 117    -0.245589145205E+04    0.15581E-02   -0.10712E-04 13760   0.109E-02    0.849E-01
DAV: 118    -0.245589395468E+04   -0.25026E-02   -0.13661E-04 15160   0.115E-02    0.861E-01
DAV: 119    -0.245589435577E+04   -0.40109E-03   -0.61063E-02 14448   0.174E-01    0.717E-01
DAV: 120    -0.245590447560E+04   -0.10120E-01   -0.53217E-03 15512   0.754E-02    0.732E-01
DAV: 121    -0.245590871990E+04   -0.42443E-02   -0.39685E-03 15584   0.867E-02    0.677E-01
DAV: 122    -0.245592981738E+04   -0.21097E-01   -0.76546E-03 16632   0.104E-01    0.663E-01
DAV: 123    -0.245596062363E+04   -0.30806E-01   -0.76235E-03 15736   0.120E-01    0.658E-01
DAV: 124    -0.245596097865E+04   -0.35502E-03   -0.46847E-02 14224   0.312E-01    0.826E-01
DAV: 125    -0.245595612217E+04    0.48565E-02   -0.83540E-03 15024   0.107E-01    0.819E-01
DAV: 126    -0.245597039500E+04   -0.14273E-01   -0.24752E-03 17368   0.306E-02    0.846E-01
DAV: 127    -0.245598577035E+04   -0.15375E-01   -0.17436E-03 14832   0.280E-02    0.871E-01
DAV: 128    -0.245602534654E+04   -0.39576E-01   -0.10090E-02 15416   0.565E-02    0.939E-01
DAV: 129    -0.245617141236E+04   -0.14607E+00   -0.17155E-01 14720   0.113E-01    0.113E+00
DAV: 130    -0.245630176188E+04   -0.13035E+00   -0.71913E-02 17280   0.264E-01    0.138E+00
DAV: 131    -0.245623585992E+04    0.65902E-01   -0.20819E-02 14816   0.112E-01    0.130E+00
DAV: 132    -0.245616750801E+04    0.68352E-01   -0.43217E-02 14400   0.882E-02    0.124E+00
DAV: 133    -0.245615644230E+04    0.11066E-01   -0.46858E-03 15584   0.560E-02    0.127E+00
DAV: 134    -0.245608046850E+04    0.75974E-01   -0.44817E-02 13840   0.138E-01    0.102E+00
DAV: 135    -0.245609940091E+04   -0.18932E-01   -0.52082E-03 14016   0.828E-02    0.107E+00
