Using device 0 (rank 0, local rank 0, local size 2) : Tesla V100-PCIE-16GB
Using device 1 (rank 1, local rank 1, local size 2) : Tesla V100-PCIE-16GB
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 SiO C H
POSCAR found : 4 types and 22 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!
POSCAR, INCAR and KPOINTS ok, starting setup
creating 32 CUDA streams...
creating 32 CUDA streams...
creating 32 CUFFT plans with grid size 80 x 80 x 98...
creating 32 CUFFT plans with grid size 80 x 80 x 98...
FFT: planning ...
WAVECAR not read
entering main loop
N E dE d eps ncg rms rms(c)
DAV: 1 0.516752023749E+03 0.51675E+03 -0.12009E+04 96 0.641E+02
DAV: 2 0.162223557574E+03 -0.35453E+03 -0.33465E+03 120 0.143E+02
DAV: 3 -0.781387063026E+02 -0.24036E+03 -0.23656E+03 112 0.119E+02
DAV: 4 -0.125390375302E+03 -0.47252E+02 -0.47158E+02 96 0.670E+01
DAV: 5 -0.126607997952E+03 -0.12176E+01 -0.12165E+01 104 0.120E+01 0.224E+01
DAV: 6 -0.115734911415E+03 0.10873E+02 -0.67135E+01 112 0.244E+01 0.140E+01
DAV: 7 -0.113868630867E+03 0.18663E+01 -0.20333E+01 104 0.998E+00 0.852E+00
DAV: 8 -0.113169176667E+03 0.69945E+00 -0.19492E+01 104 0.689E+00 0.114E+01
DAV: 9 -0.112691078691E+03 0.47810E+00 -0.15871E+01 96 0.514E+00 0.579E+00
DAV: 10 -0.112442462370E+03 0.24862E+00 -0.70593E+00 104 0.500E+00 0.473E+00
DAV: 11 -0.112269208450E+03 0.17325E+00 -0.30342E+00 104 0.213E+00 0.344E+00
DAV: 12 -0.112222645625E+03 0.46563E-01 -0.18987E+00 88 0.202E+00 0.330E+00
DAV: 13 -0.112177219452E+03 0.45426E-01 -0.96342E-01 104 0.146E+00 0.152E+00
DAV: 14 -0.112160071647E+03 0.17148E-01 -0.87443E-02 112 0.857E-01 0.854E-01
DAV: 15 -0.112160323125E+03 -0.25148E-03 -0.96668E-02 104 0.877E-01 0.720E-01
DAV: 16 -0.112158154956E+03 0.21682E-02 -0.11228E-02 112 0.407E-01 0.721E-01
DAV: 17 -0.112157493688E+03 0.66127E-03 -0.57807E-02 88 0.445E-01 0.668E-01
DAV: 18 -0.112161612897E+03 -0.41192E-02 -0.71934E-02 96 0.402E-01 0.666E-01
CUDA Error in cuda_main.cu, line 243: unspecified launch failure
Failed to synchronize the CUDA stream!
*****************************
Error running VASP parallel with MPI
#!/bin/bash
cd "/home/user/MD/TaskServer/Tasks/172.16.0.10-32000-task36083"
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"
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
vasp_gpu 0000000005445AD4 Unknown Unknown Unknown
libpthread-2.31.s 0000152BE516C8C0 Unknown Unknown Unknown
vasp_gpu 0000000005413F23 Unknown Unknown Unknown
vasp_gpu 0000000000F04BA9 Unknown Unknown Unknown
vasp_gpu 0000000000F844A5 Unknown Unknown Unknown
vasp_gpu 0000000001813C76 Unknown Unknown Unknown
vasp_gpu 000000000043FC9E Unknown Unknown Unknown
libc-2.31.so 0000152BD560229D __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-2.31.s 000014F6830F38C0 Unknown Unknown Unknown
libc-2.31.so 000014F673650527 __sched_yield Unknown Unknown
libmpi.so.12 000014F673EA52CF PMPIDI_CH3I_Progr Unknown Unknown
libmpi.so.12 000014F674044745 Unknown Unknown Unknown
libmpi.so.12 000014F6740402F2 Unknown Unknown Unknown
libmpi.so.12 000014F673E57033 Unknown Unknown Unknown
libmpi.so.12 000014F673E590BF MPI_Alltoall Unknown Unknown
libmpifort.so.12 000014F674AD542E mpi_alltoall__ Unknown Unknown
vasp_gpu 00000000004A4641 Unknown Unknown Unknown
vasp_gpu 00000000006482C3 Unknown Unknown Unknown
vasp_gpu 0000000000F04BEB Unknown Unknown Unknown
vasp_gpu 0000000000F844A5 Unknown Unknown Unknown
vasp_gpu 0000000001813C76 Unknown Unknown Unknown
vasp_gpu 000000000043FC9E Unknown Unknown Unknown
libc-2.31.so 000014F67358929D __libc_start_main Unknown Unknown
vasp_gpu 000000000043FB29 Unknown Unknown Unknown
*****************************