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 20 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... ***************************** Error running VASP parallel with MPI #!/bin/bash cd "/home/user/MD/TaskServer/Tasks/172.16.0.10-32000-task35621" 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 000014FA9F7B68C0 Unknown Unknown Unknown libcufft.so.10 000014FA95B7C984 Unknown Unknown Unknown libcufft.so.10 000014FA95B77AD9 Unknown Unknown Unknown libcufft.so.10 000014FA95B7B8CF Unknown Unknown Unknown libcufft.so.10 000014FA95B7C03A Unknown Unknown Unknown libcufft.so.10 000014FA95B6F66C Unknown Unknown Unknown libcufft.so.10 000014FA95B5F16E Unknown Unknown Unknown libcufft.so.10 000014FA95B912A1 Unknown Unknown Unknown libcufft.so.10 000014FA957D7B82 Unknown Unknown Unknown libcufft.so.10 000014FA957D8186 Unknown Unknown Unknown libcufft.so.10 000014FA957D9CD2 Unknown Unknown Unknown libcufft.so.10 000014FA957ED2AA cufftXtMakePlanMa Unknown Unknown libcufft.so.10 000014FA957EE1A5 cufftMakePlanMany Unknown Unknown libcufft.so.10 000014FA957EACD3 cufftMakePlanMany Unknown Unknown libcufft.so.10 000014FA957EB262 cufftPlanMany Unknown Unknown libcufft.so.10 000014FA957EB2DB cufftPlan3d Unknown Unknown vasp_gpu 000000000541424C Unknown Unknown Unknown vasp_gpu 00000000014D1369 Unknown Unknown Unknown vasp_gpu 00000000017F17AF Unknown Unknown Unknown vasp_gpu 000000000043FC9E Unknown Unknown Unknown libc-2.31.so 000014FA8FC4C29D __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 000014F4EE2618C0 Unknown Unknown Unknown libc-2.31.so 000014F4DE7CEC27 ioctl Unknown Unknown libcuda.so.460.10 000014F4D9D672E0 Unknown Unknown Unknown libcuda.so.460.10 000014F4D9D9AF75 Unknown Unknown Unknown libcuda.so.460.10 000014F4D9DF6C74 Unknown Unknown Unknown libcuda.so.460.10 000014F4D9D6C0BF Unknown Unknown Unknown libcuda.so.460.10 000014F4D9D17CDA Unknown Unknown Unknown libcuda.so.460.10 000014F4D9D2126D Unknown Unknown Unknown libcuda.so.460.10 000014F4D9D21B38 Unknown Unknown Unknown libcuda.so.460.10 000014F4D9D22521 Unknown Unknown Unknown libcuda.so.460.10 000014F4D9D23021 Unknown Unknown Unknown libcuda.so.460.10 000014F4D9BBF0E5 Unknown Unknown Unknown libcuda.so.460.10 000014F4D9C77D57 cuMemAlloc_v2 Unknown Unknown libcufft.so.10 000014F4E462B763 Unknown Unknown Unknown libcufft.so.10 000014F4E460658B Unknown Unknown Unknown libcufft.so.10 000014F4E463CA0C Unknown Unknown Unknown libcufft.so.10 000014F4E42941A6 Unknown Unknown Unknown libcufft.so.10 000014F4E42987B6 cufftXtMakePlanMa Unknown Unknown libcufft.so.10 000014F4E42991A5 cufftMakePlanMany Unknown Unknown libcufft.so.10 000014F4E4295CD3 cufftMakePlanMany Unknown Unknown libcufft.so.10 000014F4E4296262 cufftPlanMany Unknown Unknown libcufft.so.10 000014F4E42962DB cufftPlan3d Unknown Unknown vasp_gpu 000000000541424C Unknown Unknown Unknown vasp_gpu 00000000014D1369 Unknown Unknown Unknown vasp_gpu 00000000017F17AF Unknown Unknown Unknown vasp_gpu 000000000043FC9E Unknown Unknown Unknown libc-2.31.so 000014F4DE6F729D __libc_start_main Unknown Unknown vasp_gpu 000000000043FB29 Unknown Unknown Unknown *****************************