Using device 2 (rank 2, local rank 2, local size 6) : Tesla K80
Using device 1 (rank 1, local rank 1, local size 6) : Tesla K80
Using device 4 (rank 4, local rank 4, local size 6) : Tesla K80
Using device 0 (rank 0, local rank 0, local size 6) : Tesla K80
Using device 3 (rank 3, local rank 3, local size 6) : Tesla K80
Using device 5 (rank 5, local rank 5, local size 6) : Tesla K80
 running on    6 total cores
 distrk:  each k-point on    6 cores,    1 groups
 distr:  one band on    1 cores,    6 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 SnO H 
 POSCAR found :  3 types and      22 ions
 NWRITE =            1
 NWRITE =            1
 NWRITE =            1
 NWRITE =            1
 NWRITE =            1
 NWRITE =            1
 -----------------------------------------------------------------------------
|                                                                             |
|           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 optimal performance we recommend to set                             |
|       NCORE = 2 up to number-of-cores-per-socket                            |
|     NCORE specifies how many cores store one orbital (NPAR=cpu/NCORE).      |
|     This setting can greatly improve the performance of VASP for DFT.       |
|     The default, NCORE=1 might be grossly inefficient on modern             |
|     multi-core architectures or massively parallel machines. Do your        |
|     own testing! More info at https://www.vasp.at/wiki/index.php/NCORE      |
|     Unfortunately you need to use the default for GW and RPA                |
|     calculations (for HF NCORE is supported but not extensively tested      |
|     yet).                                                                   |
|                                                                             |
 -----------------------------------------------------------------------------

 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 CUDA streams...
creating 32 CUDA streams...
creating 32 CUDA streams...
creating 32 CUDA streams...
creating 32 CUFFT plans with grid size 90 x 24 x 24...
creating 32 CUFFT plans with grid size 90 x 24 x 24...
creating 32 CUFFT plans with grid size 90 x 24 x 24...
creating 32 CUFFT plans with grid size 90 x 24 x 24...
creating 32 CUFFT plans with grid size 90 x 24 x 24...
creating 32 CUFFT plans with grid size 90 x 24 x 24...
 FFT: planning ...
 WAVECAR not read
 entering main loop
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1     0.245413782692E+04    0.24541E+04   -0.68702E+04  1146   0.185E+03 
DAV:   2     0.469142075136E+03   -0.19850E+04   -0.19075E+04  1164   0.601E+02 
DAV:   3     0.211284646758E+02   -0.44801E+03   -0.42904E+03  1158   0.249E+02 
DAV:   4    -0.224848240823E+02   -0.43613E+02   -0.41955E+02  1272   0.849E+01 
DAV:   5    -0.241325548762E+02   -0.16477E+01   -0.16361E+01  1236   0.163E+01    0.151E+02
DAV:   6     0.982916174216E+00    0.25115E+02   -0.16656E+02  1608   0.964E+01    0.532E+01
DAV:   7    -0.117612485478E+03   -0.11860E+03   -0.86957E+02  1800   0.125E+02    0.103E+02
DAV:   8    -0.209379290089E+02    0.96675E+02   -0.48319E+02  1464   0.654E+01    0.445E+01
DAV:   9     0.175621579173E+01    0.22694E+02   -0.15705E+02  1440   0.448E+01    0.351E+01
DAV:  10     0.132922517402E+02    0.11536E+02   -0.38022E+01  1548   0.271E+01    0.206E+01
DAV:  11     0.192213647940E+02    0.59291E+01   -0.12796E+01  1536   0.171E+01    0.287E+01
DAV:  12     0.210307232063E+02    0.18094E+01   -0.20422E+01  1524   0.134E+01    0.157E+01
DAV:  13     0.220940899786E+02    0.10634E+01   -0.59722E+00  1320   0.807E+00    0.135E+01
DAV:  14     0.213311036519E+02   -0.76299E+00   -0.29248E+00  1536   0.581E+00    0.142E+01
DAV:  15     0.225819831404E+02    0.12509E+01   -0.44692E+00  1464   0.830E+00    0.899E+00
DAV:  16     0.227926015150E+02    0.21062E+00   -0.23269E+00  1620   0.614E+00    0.695E+00
DAV:  17     0.231473425933E+02    0.35474E+00   -0.77033E-01  1392   0.315E+00    0.462E+00
DAV:  18     0.232043677041E+02    0.57025E-01   -0.15092E-01  1428   0.146E+00    0.445E+00
DAV:  19     0.231726144837E+02   -0.31753E-01   -0.41913E-01  1620   0.157E+00    0.753E+00
DAV:  20     0.233403549862E+02    0.16774E+00   -0.15783E-01  1296   0.882E-01    0.381E+00
DAV:  21     0.233234027363E+02   -0.16952E-01   -0.47818E-02  1620   0.862E-01    0.408E+00
DAV:  22     0.233992840838E+02    0.75881E-01   -0.51856E-02  1728   0.925E-01    0.246E+00
DAV:  23     0.234100986214E+02    0.10815E-01   -0.25604E-02  1584   0.745E-01    0.150E+00
DAV:  24     0.234156980533E+02    0.55994E-02   -0.13611E-02  1620   0.593E-01    0.698E-01
DAV:  25     0.234160906614E+02    0.39261E-03   -0.46569E-03  1536   0.269E-01    0.499E-01
DAV:  26     0.234175244752E+02    0.14338E-02   -0.18670E-03  1704   0.288E-01    0.236E-01
*****************************
Error running VASP parallel with MPI

#!/bin/bash
cd "/home/user/MD/TaskServer/Tasks/140.123.79.184-32000-task43560"
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 6 "/home/user/MD/TaskServer/Tools/vasp-gpu6.2.1/Linux-x86_64/vasp_gpu"

forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source             
vasp_gpu           0000000005445AD4  Unknown               Unknown  Unknown
libpthread-2.22.s  00007F2B163E7C70  Unknown               Unknown  Unknown
vasp_gpu           000000000540E2F7  Unknown               Unknown  Unknown
vasp_gpu           0000000000EFA93E  Unknown               Unknown  Unknown
vasp_gpu           0000000000F844A5  Unknown               Unknown  Unknown
vasp_gpu           0000000001813C76  Unknown               Unknown  Unknown
vasp_gpu           000000000043FC9E  Unknown               Unknown  Unknown
libc-2.22.so       00007F2B0690D725  __libc_start_main     Unknown  Unknown
vasp_gpu           000000000043FB29  Unknown               Unknown  Unknown
forrtl: error (69): process interrupted (SIGINT)
Image              PC                Routine            Line        Source             
vasp_gpu           0000000005445D70  Unknown               Unknown  Unknown
libpthread-2.22.s  00007FDD7CE37C70  Unknown               Unknown  Unknown
libmpi.so.12       00007FDD6DC3CCFB  PMPIDI_CH3I_Progr     Unknown  Unknown
libmpi.so.12       00007FDD6DDDC745  Unknown               Unknown  Unknown
libmpi.so.12       00007FDD6DDD82F2  Unknown               Unknown  Unknown
libmpi.so.12       00007FDD6DBEF033  Unknown               Unknown  Unknown
libmpi.so.12       00007FDD6DBF10BF  MPI_Alltoall          Unknown  Unknown
libmpifort.so.12   00007FDD6E86D42E  mpi_alltoall__        Unknown  Unknown
vasp_gpu           00000000004A4641  Unknown               Unknown  Unknown
vasp_gpu           0000000000649C4F  Unknown               Unknown  Unknown
vasp_gpu           0000000000F0801E  Unknown               Unknown  Unknown
vasp_gpu           0000000000F844A5  Unknown               Unknown  Unknown
vasp_gpu           0000000001813C76  Unknown               Unknown  Unknown
vasp_gpu           000000000043FC9E  Unknown               Unknown  Unknown
libc-2.22.so       00007FDD6D35D725  __libc_start_main     Unknown  Unknown
vasp_gpu           000000000043FB29  Unknown               Unknown  Unknown
forrtl: error (69): process interrupted (SIGINT)
Image              PC                Routine            Line        Source             
vasp_gpu           0000000005445D70  Unknown               Unknown  Unknown
libpthread-2.22.s  00007FA5652B0C70  Unknown               Unknown  Unknown
libmpi.so.12       00007FA5560B60C2  PMPIDI_CH3I_Progr     Unknown  Unknown
libmpi.so.12       00007FA556255745  Unknown               Unknown  Unknown
libmpi.so.12       00007FA5562512F2  Unknown               Unknown  Unknown
libmpi.so.12       00007FA556068033  Unknown               Unknown  Unknown
libmpi.so.12       00007FA55606A0BF  MPI_Alltoall          Unknown  Unknown
libmpifort.so.12   00007FA556CE642E  mpi_alltoall__        Unknown  Unknown
vasp_gpu           00000000004A4641  Unknown               Unknown  Unknown
vasp_gpu           0000000000649C4F  Unknown               Unknown  Unknown
vasp_gpu           0000000000F0801E  Unknown               Unknown  Unknown
vasp_gpu           0000000000F844A5  Unknown               Unknown  Unknown
vasp_gpu           0000000001813C76  Unknown               Unknown  Unknown
vasp_gpu           000000000043FC9E  Unknown               Unknown  Unknown
libc-2.22.so       00007FA5557D6725  __libc_start_main     Unknown  Unknown
vasp_gpu           000000000043FB29  Unknown               Unknown  Unknown
forrtl: error (69): process interrupted (SIGINT)
Image              PC                Routine            Line        Source             
vasp_gpu           0000000005445D70  Unknown               Unknown  Unknown
libpthread-2.22.s  00007FB0A440CC70  Unknown               Unknown  Unknown
libmpi.so.12       00007FB095211CF0  PMPIDI_CH3I_Progr     Unknown  Unknown
libmpi.so.12       00007FB0953B1745  Unknown               Unknown  Unknown
libmpi.so.12       00007FB0953AD2F2  Unknown               Unknown  Unknown
libmpi.so.12       00007FB0951C4033  Unknown               Unknown  Unknown
libmpi.so.12       00007FB0951C60BF  MPI_Alltoall          Unknown  Unknown
libmpifort.so.12   00007FB095E4242E  mpi_alltoall__        Unknown  Unknown
vasp_gpu           00000000004A4641  Unknown               Unknown  Unknown
vasp_gpu           0000000000649C4F  Unknown               Unknown  Unknown
vasp_gpu           0000000000F0801E  Unknown               Unknown  Unknown
vasp_gpu           0000000000F844A5  Unknown               Unknown  Unknown
vasp_gpu           0000000001813C76  Unknown               Unknown  Unknown
vasp_gpu           000000000043FC9E  Unknown               Unknown  Unknown
libc-2.22.so       00007FB094932725  __libc_start_main     Unknown  Unknown
vasp_gpu           000000000043FB29  Unknown               Unknown  Unknown
forrtl: error (69): process interrupted (SIGINT)
Image              PC                Routine            Line        Source             
vasp_gpu           0000000005445D70  Unknown               Unknown  Unknown
libpthread-2.22.s  00007FDC1FC45C70  Unknown               Unknown  Unknown
libmpi.so.12       00007FDC10A4B002  PMPIDI_CH3I_Progr     Unknown  Unknown
libmpi.so.12       00007FDC10BEA745  Unknown               Unknown  Unknown
libmpi.so.12       00007FDC10BE62F2  Unknown               Unknown  Unknown
libmpi.so.12       00007FDC109FD033  Unknown               Unknown  Unknown
libmpi.so.12       00007FDC109FF0BF  MPI_Alltoall          Unknown  Unknown
libmpifort.so.12   00007FDC1167B42E  mpi_alltoall__        Unknown  Unknown
vasp_gpu           00000000004A4641  Unknown               Unknown  Unknown
vasp_gpu           0000000000649C4F  Unknown               Unknown  Unknown
vasp_gpu           0000000000F0801E  Unknown               Unknown  Unknown
vasp_gpu           0000000000F844A5  Unknown               Unknown  Unknown
vasp_gpu           0000000001813C76  Unknown               Unknown  Unknown
vasp_gpu           000000000043FC9E  Unknown               Unknown  Unknown
libc-2.22.so       00007FDC1016B725  __libc_start_main     Unknown  Unknown
vasp_gpu           000000000043FB29  Unknown               Unknown  Unknown
forrtl: error (69): process interrupted (SIGINT)
Image              PC                Routine            Line        Source             
vasp_gpu           0000000005445D70  Unknown               Unknown  Unknown
libpthread-2.22.s  00007F44F3F21C70  Unknown               Unknown  Unknown
libmpi.so.12       00007F44E4D26CF7  PMPIDI_CH3I_Progr     Unknown  Unknown
libmpi.so.12       00007F44E4EC6745  Unknown               Unknown  Unknown
libmpi.so.12       00007F44E4EC22F2  Unknown               Unknown  Unknown
libmpi.so.12       00007F44E4CD9033  Unknown               Unknown  Unknown
libmpi.so.12       00007F44E4CDB0BF  MPI_Alltoall          Unknown  Unknown
libmpifort.so.12   00007F44E595742E  mpi_alltoall__        Unknown  Unknown
vasp_gpu           00000000004A4641  Unknown               Unknown  Unknown
vasp_gpu           0000000000649C4F  Unknown               Unknown  Unknown
vasp_gpu           0000000000F0801E  Unknown               Unknown  Unknown
vasp_gpu           0000000000F844A5  Unknown               Unknown  Unknown
vasp_gpu           0000000001813C76  Unknown               Unknown  Unknown
vasp_gpu           000000000043FC9E  Unknown               Unknown  Unknown
libc-2.22.so       00007F44E4447725  __libc_start_main     Unknown  Unknown
vasp_gpu           000000000043FB29  Unknown               Unknown  Unknown
*****************************