Using device 0 (rank 0, local rank 0, local size 2) : Quadro GP100
Using device 1 (rank 1, local rank 1, local size 2) : Quadro GP100
running on 2 total cores
distrk: each k-point on 2 cores, 1 groups
distr: one band on 1 cores, 2 groups
*******************************************************************************
You are running the GPU port of VASP! When publishing results obtained with
this version, please cite:
- M. Hacene et al., http://dx.doi.org/10.1002/jcc.23096
- M. Hutchinson and M. Widom, http://dx.doi.org/10.1016/j.cpc.2012.02.017
in addition to the usual required citations (see manual).
GPU developers: A. Anciaux-Sedrakian, C. Angerer, and M. Hutchinson.
*******************************************************************************
-----------------------------------------------------------------------------
| |
| 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 !!! |
| |
| Please note that VASP has recently been ported to GPU by means of |
| OpenACC. You are running the CUDA-C GPU-port of VASP, which is |
| deprecated and no longer actively developed, maintained, or |
| supported. In the near future, the CUDA-C GPU-port of VASP will be |
| dropped completely. We encourage you to switch to the OpenACC |
| GPU-port of VASP as soon as possible. |
| |
-----------------------------------------------------------------------------
vasp.6.2.1 16May21 (build Apr 11 2022 11:03:26) complex
MD_VERSION_INFO: Compiled 2022-04-11T18:25:55-UTC in devlin.sd.materialsdesign.
com:/home/medea2/data/build/vasp6.2.1/16685/x86_64/src/src/build/gpu from svn 1
6685
This VASP executable licensed from Materials Design, Inc.
POSCAR found type information on POSCAR SiGeO AlC H
POSCAR found : 6 types and 223 ions
NWRITE = 1
NWRITE = 1
LDA part: xc-table for Pade appr. of Perdew
WARNING: The GPU port of VASP has been extensively
tested for: ALGO=Normal, Fast, and VeryFast.
Other algorithms may produce incorrect results or
yield suboptimal performance. Handle with care!
-----------------------------------------------------------------------------
| |
| 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 !!! |
| |
| The distance between some ions is very small. Please check the |
| nearest-neighbor list in the OUTCAR file. |
| I HOPE YOU KNOW WHAT YOU ARE DOING! |
| |
-----------------------------------------------------------------------------
POSCAR, INCAR and KPOINTS ok, starting setup
creating 32 CUDA streams...
creating 32 CUDA streams...
creating 32 CUFFT plans with grid size 160 x 96 x 64...
creating 32 CUFFT plans with grid size 160 x 96 x 64...
FFT: planning ...
WAVECAR not read
entering main loop
N E dE d eps ncg rms rms(c)
DAV: 1 0.117083253126E+05 0.11708E+05 -0.37957E+05 2776 0.158E+03
DAV: 2 0.212686111642E+04 -0.95815E+04 -0.92655E+04 3024 0.372E+02
DAV: 3 -0.703449721342E+02 -0.21972E+04 -0.21098E+04 3712 0.198E+02
DAV: 4 -0.377814284389E+03 -0.30747E+03 -0.27588E+03 3608 0.731E+01
DAV: 5 -0.401324565104E+03 -0.23510E+02 -0.22414E+02 4056 0.154E+01 0.643E+03
DAV: 6 -0.731799150054E+03 -0.33047E+03 -0.19423E+03 4188 0.788E+01 0.200E+03
DAV: 7 -0.733526772734E+04 -0.66035E+04 -0.75136E+04 4712 0.202E+02 0.408E+03
DAV: 8 -0.581177496268E+04 0.15235E+04 -0.12646E+04 4048 0.185E+02 0.452E+03
DAV: 9 -0.311440179703E+05 -0.25332E+05 -0.10173E+05 4648 0.155E+03 0.555E+03
DAV: 10 -0.347426519245E+05 -0.35986E+04 -0.61823E+04 4796 0.929E+02 0.598E+03
DAV: 11 -0.973866632468E+08 -0.97352E+08 -0.97587E+08 2960 0.159E+05 0.738E+03
DAV: 12 -0.362117134274E+06 0.97025E+08 -0.27869E+06 4432 0.846E+03 0.741E+03
DAV: 13 -0.147091954348E+07 -0.11088E+07 -0.14129E+07 4984 0.105E+04 0.726E+03
DAV: 14 -0.759181231542E+05 0.13950E+07 -0.15545E+05 5200 0.189E+03 0.853E+03
DAV: 15 -0.744751169058E+05 0.14430E+04 -0.67183E+05 3064 0.126E+04 0.894E+03
DAV: 16 -0.810344549851E+05 -0.65593E+04 -0.72409E+04 5216 0.123E+03 0.983E+03
DAV: 17 -0.847363931798E+05 -0.37019E+04 -0.67812E+04 4896 0.824E+02 0.103E+04
DAV: 18 -0.581307700481E+09 -0.58122E+09 -0.64723E+09 3120 0.924E+06 0.216E+04
DAV: 19 -0.681984526042E+05 0.58124E+09 -0.24011E+05 4656 0.109E+04 0.193E+04
DAV: 20 -0.805386897087E+05 -0.12340E+05 -0.44407E+05 4948 0.324E+03 0.972E+03
DAV: 21 -0.721471291157E+06 -0.64093E+06 -0.62798E+06 5144 0.943E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 1080.01505 new 1079.99731
0.209E+04
DAV: 22 -0.381671893693E+06 0.33980E+06 -0.18417E+06 4888 0.306E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 1079.99731 new 1079.98346
0.129E+04
DAV: 23 -0.706485845918E+05 0.31102E+06 -0.23862E+05 3408 0.668E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 1079.98346 new 1080.02828
0.101E+04
DAV: 24 -0.910726295478E+05 -0.20424E+05 -0.83454E+04 4072 0.221E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 1080.02828 new 1080.00010
0.105E+04
DAV: 25 -0.454263683888E+07 -0.44516E+07 -0.10294E+08 2704 0.149E+06BRMIX: very serious problems
the old and the new charge density differ
old charge density: 1080.00010 new 1080.71351
0.932E+03
DAV: 26 -0.776021126158E+07 -0.32176E+07 -0.99355E+07 3112 0.366E+05BRMIX: very serious problems
the old and the new charge density differ
old charge density: 1080.71351 new 1080.37215
0.912E+03
DAV: 27 -0.340487826559E+06 0.74197E+07 -0.21998E+06 3568 0.134E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 1080.37215 new 1078.56425
0.934E+03
DAV: 28 -0.785299729630E+05 0.26196E+06 -0.21182E+05 3176 0.667E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 1078.56425 new 1081.38515
0.104E+04
DAV: 29 -0.824209294487E+05 -0.38910E+04 -0.87795E+04 5184 0.202E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 1081.38515 new 1080.11231
0.135E+04
DAV: 30 -0.205721839397E+12 -0.20572E+12 -0.99870E+11 4520 0.452E+05BRMIX: very serious problems
the old and the new charge density differ
old charge density: 1080.11231 new 1083.68349
0.200E+04
DAV: 31 -0.681441731089E+06 0.20572E+12 -0.11258E+06 3984 0.187E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 1083.68349 new 1078.04038
0.103E+05
DAV: 32 -0.124733721594E+10 -0.12467E+10 -0.10446E+09 2608 0.105E+08BRMIX: very serious problems
the old and the new charge density differ
old charge density: 1078.04038 new 1013.29837
0.101E+04
DAV: 33 -0.427685439993E+07 0.12431E+10 -0.73993E+06 2828 0.140E+05BRMIX: very serious problems
the old and the new charge density differ
old charge density: 1013.29837 new 963.77627
0.865E+03
DAV: 34 -0.447788006629E+08 -0.40502E+08 -0.10671E+07 3384 0.313E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 963.77627 new 857.92164
0.332E+04
DAV: 35 -0.261376203854E+09 -0.21660E+09 -0.24863E+09 3516 0.201E+05BRMIX: very serious problems
the old and the new charge density differ
old charge density: 857.92164 new 772.94150
0.650E+03
DAV: 36 -0.302169042768E+08 0.23116E+09 -0.14768E+06 4032 0.256E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 772.94150 new 817.70191
0.612E+03
DAV: 37 -0.273508897406E+08 0.28660E+07 -0.61260E+07 4580 0.486E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 817.70191 new 911.80088
0.108E+04
DAV: 38 -0.233378478416E+07 0.25017E+08 -0.23487E+06 4928 0.271E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 911.80088 new 948.04763
0.442E+03
DAV: 39 -0.245142498829E+06 0.20886E+07 -0.22177E+05 4832 0.571E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 948.04763 new 967.06687
0.327E+03
DAV: 40 -0.242041558231E+06 0.31009E+04 -0.19103E+05 4528 0.511E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 967.06687 new 937.21561
0.261E+03
DAV: 41 -0.953077502796E+06 -0.71104E+06 -0.24249E+05 4224 0.760E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 937.21561 new 789.99082
0.231E+03
DAV: 42 -0.381489510475E+07 -0.28618E+07 -0.18273E+05 4192 0.959E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 789.99082 new 814.04120
0.205E+03
DAV: 43 -0.261604891978E+07 0.11988E+07 -0.16533E+05 4304 0.105E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 814.04120 new 770.97653
0.190E+03
DAV: 44 -0.325722006383E+07 -0.64117E+06 -0.20364E+05 3956 0.954E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 770.97653 new 773.27320
0.181E+03
DAV: 45 -0.120615464648E+07 0.20511E+07 -0.22221E+05 3968 0.104E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 773.27320 new 743.23687
0.179E+03
DAV: 46 -0.117020084895E+08 -0.10496E+08 -0.10325E+07 4092 0.996E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 743.23687 new 806.91179
0.195E+03
DAV: 47 -0.174956022682E+07 0.99524E+07 -0.35473E+05 3592 0.885E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 806.91179 new 726.88546
0.178E+03
DAV: 48 -0.134932835797E+07 0.40023E+06 -0.27797E+05 3792 0.883E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 726.88546 new 688.43662
0.180E+03
DAV: 49 -0.193118069911E+09 -0.19177E+09 -0.30669E+05 3688 0.795E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 688.43662 new 721.10802
0.183E+03
DAV: 50 -0.106132624784E+08 0.18250E+09 -0.31638E+07 3712 0.954E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 721.10802 new 709.45555
0.188E+03
DAV: 51 -0.110950051046E+10 -0.10989E+10 -0.16653E+08 3560 0.133E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 709.45555 new 701.78135
0.192E+03
DAV: 52 -0.351976478030E+07 0.11060E+10 -0.27732E+05 3904 0.856E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 701.78135 new 783.49836
0.159E+03
DAV: 53 -0.100824424267E+07 0.25115E+07 -0.24630E+05 4056 0.569E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 783.49836 new 894.12064
0.135E+03
DAV: 54 -0.323193932414E+07 -0.22237E+07 -0.14422E+05 4268 0.534E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 894.12064 new 869.62942
0.143E+03
DAV: 55 -0.133775199311E+08 -0.10146E+08 -0.14861E+05 4664 0.603E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 869.62942 new 864.08512
0.135E+03
DAV: 56 -0.434206315580E+09 -0.42083E+09 -0.22365E+05 4136 0.786E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 864.08512 new 806.60024
0.147E+03
DAV: 57 -0.233006045112E+09 0.20120E+09 -0.10363E+07 3068 0.122E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 806.60024 new 790.59809
0.147E+03
DAV: 58 -0.432197294693E+09 -0.19919E+09 -0.42822E+05 3512 0.137E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 790.59809 new 760.58639
0.149E+03
DAV: 59 -0.784935794059E+08 0.35370E+09 -0.36101E+05 3980 0.123E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 760.58639 new 736.35040
0.148E+03
DAV: 60 -0.192742298467E+07 0.76566E+08 -0.49784E+05 3736 0.888E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 736.35040 new 845.96027
0.141E+03
DAV: 61 -0.639747267761E+07 -0.44700E+07 -0.25869E+05 4124 0.990E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 845.96027 new 851.61528
0.138E+03
DAV: 62 -0.573377862318E+06 0.58241E+07 -0.29140E+05 4184 0.745E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 851.61528 new 881.67493
0.131E+03
DAV: 63 -0.263953325105E+07 -0.20662E+07 -0.26604E+05 4240 0.881E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 881.67493 new 840.37795
0.146E+03
DAV: 64 -0.429545616794E+07 -0.16559E+07 -0.33029E+05 4116 0.104E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 840.37795 new 808.34482
0.144E+03
DAV: 65 -0.271419427947E+07 0.15813E+07 -0.32267E+05 3812 0.110E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 808.34482 new 795.11914
0.142E+03
DAV: 66 -0.200377048607E+07 0.71042E+06 -0.30714E+05 4284 0.953E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 795.11914 new 784.92218
0.149E+03
DAV: 67 -0.117031918847E+08 -0.96994E+07 -0.30415E+05 3224 0.921E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 784.92218 new 828.25833
0.134E+03
DAV: 68 -0.167349578703E+08 -0.50318E+07 -0.35012E+05 3940 0.787E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 828.25833 new 777.01228
0.170E+03
DAV: 69 -0.730146649648E+09 -0.71341E+09 -0.33041E+05 4664 0.983E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 777.01228 new 771.67478
0.187E+03
DAV: 70 -0.460278601597E+10 -0.38726E+10 -0.16821E+10 3920 0.795E+05BRMIX: very serious problems
the old and the new charge density differ
old charge density: 771.67478 new 835.16324
0.216E+03
DAV: 71 -0.293371521557E+06 0.46025E+10 -0.65540E+05 2848 0.226E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 835.16324 new 971.34084
0.257E+03
DAV: 72 -0.604531372343E+06 -0.31116E+06 -0.25194E+05 3432 0.169E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 971.34084 new 864.75718
0.332E+03
DAV: 73 -0.203789980575E+07 -0.14334E+07 -0.21818E+05 3352 0.107E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 864.75718 new 815.09364
0.204E+03
DAV: 74 -0.169074199325E+07 0.34716E+06 -0.27030E+05 3944 0.950E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 815.09364 new 751.76693
0.204E+03
DAV: 75 -0.131731455198E+08 -0.11482E+08 -0.54251E+06 4380 0.113E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 751.76693 new 828.89094
0.666E+03
DAV: 76 -0.794776117762E+06 0.12378E+08 -0.36683E+05 2680 0.863E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 828.89094 new 866.72970
0.178E+03
DAV: 77 -0.546270111865E+07 -0.46679E+07 -0.20780E+05 2704 0.723E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 866.72970 new 796.18659
0.158E+03
DAV: 78 -0.432104265340E+08 -0.37748E+08 -0.47680E+05 2736 0.935E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 796.18659 new 788.08786
0.375E+03
DAV: 79 -0.419827987651E+07 0.39012E+08 -0.22256E+05 2808 0.600E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 788.08786 new 800.92111
0.217E+03
DAV: 80 -0.690170682279E+08 -0.64819E+08 -0.16352E+06 3076 0.114E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 800.92111 new 780.09542
0.435E+03
DAV: 81 -0.485832507529E+07 0.64159E+08 -0.30796E+07 3552 0.116E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 780.09542 new 939.54602
0.240E+03
DAV: 82 -0.835088648452E+07 -0.34926E+07 -0.22730E+05 2756 0.551E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 939.54602 new 815.72665
0.234E+03
DAV: 83 -0.118534886583E+10 -0.11770E+10 -0.11639E+10 3348 0.132E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 815.72665 new 799.40495
0.386E+03
DAV: 84 -0.438843530999E+08 0.11415E+10 -0.39515E+05 2932 0.964E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 799.40495 new 740.53733
0.215E+03
DAV: 85 -0.364057882090E+08 0.74786E+07 -0.49638E+06 4232 0.106E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 740.53733 new 784.11996
0.207E+03
DAV: 86 -0.353176174708E+07 0.32874E+08 -0.15421E+06 3408 0.105E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 784.11996 new 769.67454
0.220E+03
DAV: 87 -0.130817770483E+09 -0.12729E+09 -0.11689E+09 3784 0.285E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 769.67454 new 773.25251
0.264E+03
DAV: 88 -0.149514873758E+07 0.12932E+09 -0.63708E+05 3224 0.750E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 773.25251 new 744.89050
0.265E+03
DAV: 89 -0.190024494250E+09 -0.18853E+09 -0.18719E+06 2732 0.280E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 744.89050 new 704.45647
0.318E+03
DAV: 90 -0.456059581622E+09 -0.26604E+09 -0.40210E+09 3868 0.222E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 704.45647 new 832.03444
0.236E+03
DAV: 91 -0.502138455404E+09 -0.46079E+08 -0.48444E+09 3392 0.206E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 832.03444 new 851.45863
0.592E+04
DAV: 92 -0.363934791736E+08 0.46574E+09 -0.45466E+05 2864 0.140E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 851.45863 new 797.58422
0.294E+04
DAV: 93 -0.463376501684E+07 0.31760E+08 -0.32328E+05 3112 0.914E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 797.58422 new 812.06712
0.816E+03
DAV: 94 -0.737325814640E+11 -0.73728E+11 -0.73483E+11 3684 0.285E+05BRMIX: very serious problems
the old and the new charge density differ
old charge density: 812.06712 new 886.58949
0.210E+04
DAV: 95 -0.799946659205E+07 0.73725E+11 -0.36707E+06 2608 0.900E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 886.58949 new 866.76505
0.160E+04
DAV: 96 -0.958814794456E+07 -0.15887E+07 -0.39082E+05 2840 0.108E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 866.76505 new 744.49479
0.885E+03
DAV: 97 -0.141356799164E+10 -0.14040E+10 -0.13648E+10 2864 0.243E+05BRMIX: very serious problems
the old and the new charge density differ
old charge density: 744.49479 new 842.47589
0.856E+03
DAV: 98 -0.103399965438E+07 0.14125E+10 -0.30853E+05 3028 0.571E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 842.47589 new 899.33098
0.980E+03
DAV: 99 -0.217593786045E+08 -0.20725E+08 -0.50972E+05 2860 0.850E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 899.33098 new 799.62970
0.102E+04
DAV: 100 -0.800607318120E+09 -0.77885E+09 -0.18868E+07 3072 0.127E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 799.62970 new 760.43333
0.107E+04
DAV: 101 -0.122791936871E+09 0.67782E+09 -0.43249E+05 2664 0.933E+03BRMIX: very serious problems
the old and the new charge density differ
old charge density: 760.43333 new 830.99731
0.105E+04
DAV: 102 -0.274722592740E+09 -0.15193E+09 -0.31557E+07 3876 0.149E+04BRMIX: very serious problems
the old and the new charge density differ
old charge density: 830.99731 new 765.97886
0.120E+04
-----------------------------------------------------------------------------
| |
| EEEEEEE RRRRRR RRRRRR OOOOOOO RRRRRR ### ### ### |
| E R R R R O O R R ### ### ### |
| E R R R R O O R R ### ### ### |
| EEEEE RRRRRR RRRRRR O O RRRRRR # # # |
| E R R R R O O R R |
| E R R R R O O R R ### ### ### |
| EEEEEEE R R R R OOOOOOO R R ### ### ### |
| |
| ERROR FEXCP: supplied Exchange-correletion table |
| is too small, maximal index : 4111 |
| |
| ----> I REFUSE TO CONTINUE WITH THIS SICK JOB ... BYE!!! <---- |
| |
-----------------------------------------------------------------------------
*****************************
Error running VASP parallel with MPI
#!/bin/bash
cd "/home/user/MD/TaskServer/Tasks/140.123.79.184-32000-task120277"
export PATH="/home/user/MD/Linux-x86_64/IntelMPI5/bin:$PATH"
export LD_LIBRARY_PATH="$LD_LIBRARY_PATH:/home/user/MD/Linux-x86_64/IntelMPI5/lib:/home/user/MD/TaskServer/Tools/vasp-gpu6.2.1/Linux-x86_64"
"/home/user/MD/Linux-x86_64/IntelMPI5/bin/mpirun" -r ssh -np 2 "/home/user/MD/TaskServer/Tools/vasp-gpu6.2.1/Linux-x86_64/vasp_gpu"
1
1
*****************************