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wang-lf09木虫 (小有名气)
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【求助】请教运行报错分析 已有2人参与
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本人在root下运行vasp，出现如下错误。请牛人帮忙分析一下。不胜感激！ [root@localhost test2]# mpirun -np 4 vasp -------------------------------------------------------------------------- [[8916,1],1]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) Host: localhost.localdomain Another transport will be used instead, although this may result in lower performance. -------------------------------------------------------------------------- running on 4 nodes distr: one band on 1 nodes, 4 groups vasp.4.6.36 17Feb09 complex POSCAR found : 1 types and 50 ions LDA part: xc-table for Ceperly-Alder, standard interpolation ----------------------------------------------------------------------------- | | | 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 !!! | | | | Your FFT grids (NGX,NGY,NGZ) are not sufficient for an accurate | | calculation. | | The results might be wrong | | good settings for NGX NGY and NGZ are | | 31 31 and 31 | | Mind: This setting results in a small but reasonable wrap around error | | It is also necessary to adjust these values to the FFT routines you use| | | ----------------------------------------------------------------------------- POSCAR, INCAR and KPOINTS ok, starting setup WARNING: wrap around errors must be expected FFT: planning ... 1 reading WAVECAR entering main loop N E dE d eps ncg rms rms(c) [localhost.localdomain:10788] 3 more processes have sent help message help-mpi-btl-base.txt / btl:no-nics [localhost.localdomain:10788] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages RMM: 1 -0.514507058760E+05 -0.51451E+05 -0.13177E+05 316 0.780E+02 RMM: 2 -0.527604338585E+05 -0.13097E+04 -0.23675E+04 316 0.234E+02 RMM: 3 -0.529743353769E+05 -0.21390E+03 -0.41254E+03 316 0.116E+02 RMM: 4 -0.531145169974E+05 -0.14018E+03 -0.15769E+03 316 0.784E+01 RMM: 5 -0.531789029672E+05 -0.64386E+02 -0.67142E+02 316 0.452E+01 RMM: 6 -0.532264453365E+05 -0.47542E+02 -0.47991E+02 720 0.309E+01 RMM: 7 -0.532330334404E+05 -0.65881E+01 -0.94371E+01 762 0.919E+00 0.871E+00 RMM: 8 -0.532322794395E+05 0.75400E+00 -0.37182E+01 697 0.816E+00 0.265E+00 RMM: 9 -0.532327283040E+05 -0.44886E+00 -0.88476E+00 702 0.383E+00 0.129E+00 RMM: 10 -0.532327148450E+05 0.13459E-01 -0.69686E-01 695 0.120E+00 0.550E-01 RMM: 11 -0.532327089538E+05 0.58912E-02 -0.18550E-01 693 0.501E-01 0.247E-01 RMM: 12 -0.532327075118E+05 0.14420E-02 -0.34613E-02 691 0.226E-01 0.756E-02 RMM: 13 -0.532327075990E+05 -0.87220E-04 -0.65477E-03 688 0.823E-02 1 F= -.53232708E+05 E0= -.53232710E+05 d E =0.749682E-02 |
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wang-lf09
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同时，我在普通账户下运行vasp，出现如下“额外”错误。再请帮忙分析，谢谢！ [linfeng@localhost ~]$ mpirun -np 4 vasp libibverbs: Warning: RLIMIT_MEMLOCK is 32768 bytes. This will severely limit memory registrations. libibverbs: Warning: RLIMIT_MEMLOCK is 32768 bytes. This will severely limit memory registrations. libibverbs: Warning: RLIMIT_MEMLOCK is 32768 bytes. This will severely limit memory registrations. libibverbs: Warning: RLIMIT_MEMLOCK is 32768 bytes. This will severely limit memory registrations. libibverbs: Warning: RLIMIT_MEMLOCK is 32768 bytes. This will severely limit memory registrations. libibverbs: Warning: RLIMIT_MEMLOCK is 32768 bytes. This will severely limit memory registrations. -------------------------------------------------------------------------- [[9198,1],2]: A high-performance Open MPI point-to-point messaging module was unable to find any relevant network interfaces: Module: OpenFabrics (openib) Host: localhost.localdomain Another transport will be used instead, although this may result in lower performance. -------------------------------------------------------------------------- libibverbs: Warning: RLIMIT_MEMLOCK is 32768 bytes. This will severely limit memory registrations. libibverbs: Warning: RLIMIT_MEMLOCK is 32768 bytes. This will severely limit memory registrations. libibverbs: Warning: RLIMIT_MEMLOCK is 32768 bytes. This will severely limit memory registrations. libibverbs: Warning: RLIMIT_MEMLOCK is 32768 bytes. This will severely limit memory registrations. libibverbs: Warning: RLIMIT_MEMLOCK is 32768 bytes. This will severely limit memory registrations. libibverbs: Warning: RLIMIT_MEMLOCK is 32768 bytes. This will severely limit memory registrations. libibverbs: Warning: RLIMIT_MEMLOCK is 32768 bytes. This will severely limit memory registrations. libibverbs: Warning: RLIMIT_MEMLOCK is 32768 bytes. This will severely limit memory registrations. libibverbs: Warning: RLIMIT_MEMLOCK is 32768 bytes. This will severely limit memory registrations. libibverbs: Warning: RLIMIT_MEMLOCK is 32768 bytes. This will severely limit memory registrations. |
2楼2010-05-13 14:26:25
nkleof
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3楼2010-05-13 16:06:42
nkleof
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4楼2010-05-13 16:07:30
