Using device 4 (rank 4, local rank 4, local size 6) : Tesla K80
Using device 1 (rank 1, local rank 1, local size 6) : Tesla K80
Using device 5 (rank 5, local rank 5, 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 2 (rank 2, local rank 2, 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     0.440846210783E+04    0.44085E+04   -0.74464E+04  1440   0.239E+03 

CUDA Error in cuda_main.cu, line 229: uncorrectable ECC error encountered
 cudaDeviceSynchronize failed in RACC0MU_GPU!
*****************************
Error running VASP parallel with MPI

#!/bin/bash
cd "/home/user/MD/TaskServer/Tasks/140.123.79.184-32000-task43578"
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  00007FF6FA37CC70  Unknown               Unknown  Unknown
vasp_gpu           0000000005413E42  Unknown               Unknown  Unknown
vasp_gpu           00000000006DF442  Unknown               Unknown  Unknown
vasp_gpu           0000000000727A17  Unknown               Unknown  Unknown
vasp_gpu           0000000000EFF36D  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       00007FF6EA8A2725  __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  00007FBA69F49C70  Unknown               Unknown  Unknown
libmpi.so.12       00007FBA5AD4F002  PMPIDI_CH3I_Progr     Unknown  Unknown
libmpi.so.12       00007FBA5AEEE745  Unknown               Unknown  Unknown
libmpi.so.12       00007FBA5AEEA2F2  Unknown               Unknown  Unknown
libmpi.so.12       00007FBA5AD01033  Unknown               Unknown  Unknown
libmpi.so.12       00007FBA5AD030BF  MPI_Alltoall          Unknown  Unknown
libmpifort.so.12   00007FBA5B97F42E  mpi_alltoall__        Unknown  Unknown
vasp_gpu           00000000004A4641  Unknown               Unknown  Unknown
vasp_gpu           0000000000649C4F  Unknown               Unknown  Unknown
vasp_gpu           0000000000EFFD7C  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       00007FBA5A46F725  __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  00007F85E81B8C70  Unknown               Unknown  Unknown
libc-2.22.so       00007F85D8793BF7  __sched_yield         Unknown  Unknown
libmpi.so.12       00007F85D8FBE2CF  PMPIDI_CH3I_Progr     Unknown  Unknown
libmpi.so.12       00007F85D915D745  Unknown               Unknown  Unknown
libmpi.so.12       00007F85D91592F2  Unknown               Unknown  Unknown
libmpi.so.12       00007F85D8F70033  Unknown               Unknown  Unknown
libmpi.so.12       00007F85D8F720BF  MPI_Alltoall          Unknown  Unknown
libmpifort.so.12   00007F85D9BEE42E  mpi_alltoall__        Unknown  Unknown
vasp_gpu           00000000004A4641  Unknown               Unknown  Unknown
vasp_gpu           0000000000649C4F  Unknown               Unknown  Unknown
vasp_gpu           0000000000EFFD7C  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       00007F85D86DE725  __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  00007FA92EA85C70  Unknown               Unknown  Unknown
libmpi.so.12       00007FA91F88AFFB  PMPIDI_CH3I_Progr     Unknown  Unknown
libmpi.so.12       00007FA91FA2A745  Unknown               Unknown  Unknown
libmpi.so.12       00007FA91FA262F2  Unknown               Unknown  Unknown
libmpi.so.12       00007FA91F83D033  Unknown               Unknown  Unknown
libmpi.so.12       00007FA91F83F0BF  MPI_Alltoall          Unknown  Unknown
libmpifort.so.12   00007FA9204BB42E  mpi_alltoall__        Unknown  Unknown
vasp_gpu           00000000004A4641  Unknown               Unknown  Unknown
vasp_gpu           0000000000649C4F  Unknown               Unknown  Unknown
vasp_gpu           0000000000EFFD7C  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       00007FA91EFAB725  __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  00007F8BB51A1C70  Unknown               Unknown  Unknown
libmpi.so.12       00007F8BA5FA6CF7  PMPIDI_CH3I_Progr     Unknown  Unknown
libmpi.so.12       00007F8BA6146745  Unknown               Unknown  Unknown
libmpi.so.12       00007F8BA61422F2  Unknown               Unknown  Unknown
libmpi.so.12       00007F8BA5F59033  Unknown               Unknown  Unknown
libmpi.so.12       00007F8BA5F5B0BF  MPI_Alltoall          Unknown  Unknown
libmpifort.so.12   00007F8BA6BD742E  mpi_alltoall__        Unknown  Unknown
vasp_gpu           00000000004A4641  Unknown               Unknown  Unknown
vasp_gpu           0000000000649C4F  Unknown               Unknown  Unknown
vasp_gpu           0000000000EFFD7C  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       00007F8BA56C7725  __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  00007FD5823F7C70  Unknown               Unknown  Unknown
libmpi.so.12       00007FD5731FD0C0  PMPIDI_CH3I_Progr     Unknown  Unknown
libmpi.so.12       00007FD57339C745  Unknown               Unknown  Unknown
libmpi.so.12       00007FD5733982F2  Unknown               Unknown  Unknown
libmpi.so.12       00007FD5731AF033  Unknown               Unknown  Unknown
libmpi.so.12       00007FD5731B10BF  MPI_Alltoall          Unknown  Unknown
libmpifort.so.12   00007FD573E2D42E  mpi_alltoall__        Unknown  Unknown
vasp_gpu           00000000004A4641  Unknown               Unknown  Unknown
vasp_gpu           0000000000649C4F  Unknown               Unknown  Unknown
vasp_gpu           0000000000EFFD7C  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       00007FD57291D725  __libc_start_main     Unknown  Unknown
vasp_gpu           000000000043FB29  Unknown               Unknown  Unknown
*****************************