Intel(R) Parallel Studio XE 2018 for Linux*
Copyright (C) 2009-2017 Intel Corporation. All rights reserved.
=========================================================
SLURM job: submitted date = Tue 1 Sep 12:16:35 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                       : 33950515
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    -0.245323490363E+04    0.28511E+03   -0.41232E+02 18400   0.610E+01    0.415E+01
DAV:  10    -0.247708681233E+04   -0.23852E+02   -0.17555E+02 18488   0.360E+01    0.455E+01
DAV:  11    -0.246352077654E+04    0.13566E+02   -0.14773E+02 17424   0.166E+01    0.286E+01
DAV:  12    -0.246423231560E+04   -0.71154E+00   -0.75208E+01 18160   0.177E+01    0.208E+01
DAV:  13    -0.246037080806E+04    0.38615E+01   -0.75241E+01 18072   0.131E+01    0.137E+01
DAV:  14    -0.245739449967E+04    0.29763E+01   -0.16081E+01 18504   0.853E+00    0.569E+00
DAV:  15    -0.245658955516E+04    0.80494E+00   -0.27884E+00 18544   0.426E+00    0.394E+00
DAV:  16    -0.245645106239E+04    0.13849E+00   -0.14874E+00 19256   0.236E+00    0.336E+00
DAV:  17    -0.245645832147E+04   -0.72591E-02   -0.16435E+00 18624   0.228E+00    0.273E+00
DAV:  18    -0.245626832034E+04    0.19000E+00   -0.52539E-01 17888   0.165E+00    0.177E+00
DAV:  19    -0.245619040344E+04    0.77917E-01   -0.16027E-01 18656   0.107E+00    0.105E+00
DAV:  20    -0.245614244208E+04    0.47961E-01   -0.13345E-01 18232   0.904E-01    0.812E-01
DAV:  21    -0.245609253005E+04    0.49912E-01   -0.11800E-01 18056   0.816E-01    0.511E-01
DAV:  22    -0.245606760492E+04    0.24925E-01   -0.33724E-02 17688   0.464E-01    0.405E-01
DAV:  23    -0.245604987456E+04    0.17730E-01   -0.13929E-02 17632   0.364E-01    0.379E-01
DAV:  24    -0.245602121970E+04    0.28655E-01   -0.13831E-02 14808   0.395E-01    0.284E-01
DAV:  25    -0.245599751671E+04    0.23703E-01   -0.19211E-02 16648   0.381E-01    0.322E-01
DAV:  26    -0.245599147517E+04    0.60415E-02   -0.51913E-03 16352   0.192E-01    0.204E-01
DAV:  27    -0.245597991018E+04    0.11565E-01   -0.26129E-03 15696   0.125E-01    0.192E-01
DAV:  28    -0.245595980558E+04    0.20105E-01   -0.38752E-03 15680   0.150E-01    0.195E-01
DAV:  29    -0.245594044221E+04    0.19363E-01   -0.35680E-03 14928   0.180E-01    0.161E-01
DAV:  30    -0.245591481986E+04    0.25622E-01   -0.58421E-03 15136   0.244E-01    0.172E-01
DAV:  31    -0.245589064368E+04    0.24176E-01   -0.64741E-03 15512   0.225E-01    0.190E-01
DAV:  32    -0.245586943455E+04    0.21209E-01   -0.83650E-03 17096   0.277E-01    0.171E-01
DAV:  33    -0.245585420979E+04    0.15225E-01   -0.77583E-03 15768   0.204E-01    0.173E-01
DAV:  34    -0.245584940560E+04    0.48042E-02   -0.23905E-03 16096   0.129E-01    0.149E-01
DAV:  35    -0.245584720315E+04    0.22024E-02   -0.19369E-03 16000   0.835E-02    0.143E-01
DAV:  36    -0.245584598456E+04    0.12186E-02   -0.10431E-03 15752   0.710E-02    0.141E-01
DAV:  37    -0.245584506448E+04    0.92008E-03   -0.16006E-03 14960   0.985E-02    0.126E-01
DAV:  38    -0.245584111253E+04    0.39519E-02   -0.40655E-03 15704   0.128E-01    0.954E-02
DAV:  39    -0.245584228145E+04   -0.11689E-02   -0.40805E-03 15336   0.794E-02    0.946E-02
DAV:  40    -0.245584411943E+04   -0.18380E-02   -0.88410E-03 15272   0.161E-01    0.718E-02
DAV:  41    -0.245583774933E+04    0.63701E-02   -0.91968E-03 16144   0.203E-01    0.120E-01
DAV:  42    -0.245583292343E+04    0.48259E-02   -0.37725E-03 17752   0.101E-01    0.974E-02
DAV:  43    -0.245583066598E+04    0.22574E-02   -0.88094E-04 16096   0.575E-02    0.742E-02
DAV:  44    -0.245582915945E+04    0.15065E-02   -0.35426E-03 16264   0.125E-01    0.174E-01
DAV:  45    -0.245582634936E+04    0.28101E-02   -0.39260E-03 15016   0.769E-02    0.758E-02
DAV:  46    -0.245582535002E+04    0.99934E-03   -0.21652E-03 13696   0.629E-02    0.881E-02
DAV:  47    -0.245582267627E+04    0.26737E-02   -0.22256E-03 14720   0.550E-02    0.855E-02
DAV:  48    -0.245581994137E+04    0.27349E-02   -0.26566E-03 15208   0.767E-02    0.116E-01
DAV:  49    -0.245581607738E+04    0.38640E-02   -0.37903E-03 15536   0.970E-02    0.109E-01
DAV:  50    -0.245581479911E+04    0.12783E-02   -0.17140E-03 15552   0.904E-02    0.554E-02
DAV:  51    -0.245581378286E+04    0.10162E-02   -0.12561E-03 17832   0.125E-01    0.774E-02
DAV:  52    -0.245581411840E+04   -0.33554E-03   -0.27576E-03 15344   0.966E-02    0.880E-02
DAV:  53    -0.245581454802E+04   -0.42962E-03   -0.81474E-04 14464   0.606E-02    0.102E-01
DAV:  54    -0.245581538872E+04   -0.84070E-03   -0.29162E-03 15672   0.179E-01    0.152E-01
DAV:  55    -0.245581477025E+04    0.61847E-03   -0.73490E-04 15248   0.465E-02    0.130E-01
DAV:  56    -0.245581422024E+04    0.55001E-03   -0.96142E-05 15920   0.257E-02    0.122E-01
DAV:  57    -0.245581399634E+04    0.22390E-03   -0.91488E-05 14792   0.205E-02    0.123E-01
DAV:  58    -0.245581354278E+04    0.45356E-03   -0.12332E-04 14464   0.187E-02    0.104E-01
DAV:  59    -0.245581351275E+04    0.30025E-04   -0.12392E-04 15256   0.262E-02    0.110E-01
DAV:  60    -0.245581344495E+04    0.67805E-04   -0.25262E-04 14344   0.276E-02    0.122E-01
DAV:  61    -0.245581325442E+04    0.19053E-03   -0.25778E-04 13944   0.374E-02    0.132E-01
DAV:  62    -0.245581282187E+04    0.43255E-03   -0.72392E-04 14272   0.133E-01    0.115E-01
DAV:  63    -0.245581251479E+04    0.30708E-03   -0.83281E-04 14600   0.791E-02    0.920E-02
DAV:  64    -0.245581214594E+04    0.36884E-03   -0.54466E-04 14760   0.511E-02    0.659E-02
DAV:  65    -0.245581213984E+04    0.61075E-05   -0.23329E-04 13584   0.390E-02    0.618E-02
DAV:  66    -0.245581225710E+04   -0.11726E-03   -0.15328E-04 13968   0.285E-02    0.585E-02
DAV:  67    -0.245581208855E+04    0.16855E-03   -0.31253E-04 13856   0.297E-02    0.404E-02
DAV:  68    -0.245581186420E+04    0.22435E-03   -0.37310E-04 13616   0.468E-02    0.309E-02
DAV:  69    -0.245581186203E+04    0.21648E-05   -0.27399E-04 13712   0.283E-02    0.215E-02
DAV:  70    -0.245581187439E+04   -0.12352E-04   -0.52447E-04 13552   0.430E-02    0.121E-02
DAV:  71    -0.245581192629E+04   -0.51903E-04   -0.48643E-04 13304   0.445E-02    0.795E-03
DAV:  72    -0.245581194589E+04   -0.19601E-04   -0.37399E-04 13536   0.345E-02    0.827E-03
DAV:  73    -0.245581197429E+04   -0.28398E-04   -0.40873E-04 13136   0.362E-02    0.132E-02
DAV:  74    -0.245581198315E+04   -0.88590E-05   -0.35214E-04 13256   0.309E-02    0.125E-02
DAV:  75    -0.245581197841E+04    0.47351E-05   -0.34633E-04 13064   0.319E-02    0.873E-03
DAV:  76    -0.245581197707E+04    0.13399E-05   -0.43165E-04 13000   0.341E-02    0.441E-03
DAV:  77    -0.245581199107E+04   -0.14003E-04   -0.40825E-04 13240   0.351E-02    0.594E-03
DAV:  78    -0.245581198972E+04    0.13555E-05   -0.42002E-04 13128   0.368E-02    0.274E-03
DAV:  79    -0.245581198542E+04    0.42970E-05   -0.40158E-04 13120   0.343E-02    0.354E-03
DAV:  80    -0.245581198996E+04   -0.45390E-05   -0.32671E-04 13064   0.294E-02    0.355E-03
DAV:  81    -0.245581198777E+04    0.21912E-05   -0.30857E-04 13000   0.265E-02    0.239E-03
DAV:  82    -0.245581199088E+04   -0.31081E-05   -0.32943E-04 12968   0.283E-02    0.303E-03
DAV:  83    -0.245581200453E+04   -0.13655E-04   -0.34298E-04 12976   0.301E-02    0.456E-03
DAV:  84    -0.245581200052E+04    0.40149E-05   -0.30500E-04 13096   0.268E-02    0.240E-03
DAV:  85    -0.245581199206E+04    0.84553E-05   -0.29253E-04 12864   0.259E-02    0.107E-03
DAV:  86    -0.245581200183E+04   -0.97699E-05   -0.30912E-04 12904   0.281E-02    0.198E-03
DAV:  87    -0.245581200416E+04   -0.23237E-05   -0.29080E-04 13048   0.258E-02    0.750E-04
DAV:  88    -0.245581200790E+04   -0.37395E-05   -0.32509E-04 12912   0.303E-02    0.137E-03
DAV:  89    -0.245581200257E+04    0.53298E-05   -0.30602E-04 12832   0.255E-02    0.791E-04
DAV:  90    -0.245581200688E+04   -0.43106E-05   -0.32481E-04 12808   0.261E-02    0.316E-04
DAV:  91    -0.245581200503E+04    0.18496E-05   -0.33106E-04 12800   0.263E-02    0.582E-04
DAV:  92    -0.245581201001E+04   -0.49855E-05   -0.34784E-04 12808   0.271E-02    0.328E-04
DAV:  93    -0.245581200719E+04    0.28197E-05   -0.35249E-04 12824   0.269E-02    0.493E-04
DAV:  94    -0.245581201131E+04   -0.41142E-05   -0.36270E-04 12792   0.274E-02    0.268E-04
DAV:  95    -0.245581200807E+04    0.32411E-05   -0.36497E-04 12784   0.273E-02    0.432E-04
DAV:  96    -0.245581201156E+04   -0.34931E-05   -0.36974E-04 12784   0.276E-02    0.246E-04
DAV:  97    -0.245581200852E+04    0.30383E-05   -0.37095E-04 12784   0.275E-02    0.287E-04
DAV:  98    -0.245581201162E+04   -0.31013E-05   -0.37278E-04 12784   0.277E-02    0.104E-04
DAV:  99    -0.245581200906E+04    0.25583E-05   -0.37386E-04 12784   0.277E-02    0.112E-04
DAV: 100    -0.245581201188E+04   -0.28147E-05   -0.37630E-04 12784   0.279E-02    0.109E-04
DAV: 101    -0.245581200951E+04    0.23681E-05   -0.37907E-04 12784   0.279E-02    0.132E-04
DAV: 102    -0.245581201213E+04   -0.26167E-05   -0.38380E-04 12784   0.282E-02    0.111E-04
DAV: 103    -0.245581201004E+04    0.20824E-05   -0.38861E-04 12784   0.282E-02    0.113E-04
DAV: 104    -0.245581201240E+04   -0.23572E-05   -0.39534E-04 12784   0.285E-02    0.159E-04
DAV: 105    -0.245581201060E+04    0.18028E-05   -0.39947E-04 12768   0.285E-02    0.117E-04
DAV: 106    -0.245581201271E+04   -0.21122E-05   -0.40703E-04 12768   0.288E-02    0.175E-04
DAV: 107    -0.245581201112E+04    0.15868E-05   -0.40961E-04 12768   0.287E-02    0.112E-04
DAV: 108    -0.245581201305E+04   -0.19262E-05   -0.41783E-04 12768   0.290E-02    0.186E-04
DAV: 109    -0.245581201154E+04    0.15137E-05   -0.41823E-04 12768   0.288E-02    0.105E-04
DAV: 110    -0.245581201334E+04   -0.18008E-05   -0.42616E-04 12768   0.292E-02    0.181E-04
DAV: 111    -0.245581201181E+04    0.15241E-05   -0.42457E-04 12768   0.290E-02    0.106E-04
DAV: 112    -0.245581201357E+04   -0.17556E-05   -0.43193E-04 12768   0.296E-02    0.165E-04
DAV: 113    -0.245581201196E+04    0.16077E-05   -0.42847E-04 12768   0.291E-02    0.110E-04
DAV: 114    -0.245581201374E+04   -0.17812E-05   -0.43504E-04 12768   0.296E-02    0.146E-04
DAV: 115    -0.245581201202E+04    0.17234E-05   -0.43056E-04 12768   0.292E-02    0.117E-04
DAV: 116    -0.245581201386E+04   -0.18365E-05   -0.43631E-04 12768   0.296E-02    0.129E-04
DAV: 117    -0.245581201198E+04    0.18711E-05   -0.43124E-04 12768   0.292E-02    0.122E-04
DAV: 118    -0.245581201392E+04   -0.19399E-05   -0.43635E-04 12768   0.296E-02    0.115E-04
DAV: 119    -0.245581201193E+04    0.19899E-05   -0.43124E-04 12768   0.293E-02    0.131E-04
DAV: 120    -0.245581201398E+04   -0.20487E-05   -0.43617E-04 12768   0.297E-02    0.112E-04
DAV: 121    -0.245581201188E+04    0.20988E-05   -0.43128E-04 12768   0.292E-02    0.138E-04
DAV: 122    -0.245581201407E+04   -0.21832E-05   -0.43602E-04 12768   0.296E-02    0.106E-04
DAV: 123    -0.245581201185E+04    0.22198E-05   -0.43177E-04 12768   0.292E-02    0.146E-04
DAV: 124    -0.245581201413E+04   -0.22860E-05   -0.43609E-04 12768   0.296E-02    0.106E-04
DAV: 125    -0.245581201181E+04    0.23251E-05   -0.43223E-04 12768   0.293E-02    0.150E-04
DAV: 126    -0.245581201418E+04   -0.23705E-05   -0.43583E-04 12768   0.296E-02    0.106E-04
DAV: 127    -0.245581201177E+04    0.24107E-05   -0.43220E-04 12768   0.292E-02    0.154E-04
DAV: 128    -0.245581201423E+04   -0.24577E-05   -0.43548E-04 12768   0.295E-02    0.106E-04
DAV: 129    -0.245581201173E+04    0.24965E-05   -0.43229E-04 12768   0.292E-02    0.160E-04
DAV: 130    -0.245581201426E+04   -0.25274E-05   -0.43510E-04 12768   0.295E-02    0.107E-04
DAV: 131    -0.245581201170E+04    0.25612E-05   -0.43228E-04 12768   0.292E-02    0.164E-04
DAV: 132    -0.245581201427E+04   -0.25789E-05   -0.43477E-04 12768   0.294E-02    0.108E-04
DAV: 133    -0.245581201168E+04    0.25910E-05   -0.43235E-04 12768   0.292E-02    0.170E-04
DAV: 134    -0.245581201430E+04   -0.26124E-05   -0.43475E-04 12768   0.294E-02    0.109E-04
DAV: 135    -0.245581201168E+04    0.26176E-05   -0.43253E-04 12768   0.291E-02    0.178E-04
DAV: 136    -0.245581201431E+04   -0.26312E-05   -0.43474E-04 12768   0.294E-02    0.110E-04
DAV: 137    -0.245581201167E+04    0.26364E-05   -0.43274E-04 12768   0.291E-02    0.182E-04
DAV: 138    -0.245581201433E+04   -0.26588E-05   -0.43477E-04 12768   0.293E-02    0.111E-04
DAV: 139    -0.245581201168E+04    0.26569E-05   -0.43290E-04 12768   0.291E-02    0.193E-04
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DAV: 141    -0.245581201167E+04    0.26746E-05   -0.43302E-04 12768   0.290E-02    0.199E-04
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DAV: 197    -0.245581201170E+04    0.27251E-05   -0.43301E-04 12768   0.291E-02    0.140E-04
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DAV: 200    -0.245581201437E+04   -0.26891E-05   -0.43300E-04 12768   0.292E-02
   1 F= -.24558120E+04 E0= -.24557812E+04  d E =-.616378E-01

---------------
Job output ends
=========================================================
SLURM job: finished date = Tue 1 Sep 15:03:08 BST 2020
Total run time : 2 Hours 46 Minutes 33 Seconds
=========================================================
