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hustzym铜虫 (初入文坛)
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[求助]
PWscf终端运行报错，菜鸟求助
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下面是我运行QE时终端报出的错误，请问各位前辈，这时该怎么办？ zym@zym-To-be-filled-by-O-E-M:~$ cd ~/QE/7.26 zym@zym-To-be-filled-by-O-E-M:~/QE/7.26$ pw.x < sc.scf.in > sc.scf.out [zym-To-be-filled-by-O-E-M:11465] [[INVALID],INVALID] ORTE_ERROR_LOG: A system-required executable either could not be found or was not executable by this user in file ../../../../../../orte/mca/ess/singleton/ess_singleton_module.c at line 357 [zym-To-be-filled-by-O-E-M:11465] [[INVALID],INVALID] ORTE_ERROR_LOG: A system-required executable either could not be found or was not executable by this user in file ../../../../../../orte/mca/ess/singleton/ess_singleton_module.c at line 230 [zym-To-be-filled-by-O-E-M:11465] [[INVALID],INVALID] ORTE_ERROR_LOG: A system-required executable either could not be found or was not executable by this user in file ../../../orte/runtime/orte_init.c at line 132 -------------------------------------------------------------------------- Sorry! You were supposed to get help about: orte_init:startup:internal-failure But I couldn't open the help file: /usr/share/openmpi/help-orte-runtime: No such file or directory. Sorry! -------------------------------------------------------------------------- Sorry! You were supposed to get help about: mpi_init:startup:internal-failure But I couldn't open the help file: /usr/share/openmpi/help-mpi-runtime: No such file or directory. Sorry! -------------------------------------------------------------------------- *** The MPI_Init() function was called before MPI_INIT was invoked. *** This is disallowed by the MPI standard. *** Your MPI job will now abort. [zym-To-be-filled-by-O-E-M:11465] Abort before MPI_INIT completed successfully; not able to guarantee that all other processes were killed! |
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gswylq
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2楼2013-07-27 17:31:50
hustzym
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你好，我安装了MPI，pw.x也安装了，但是运行之后还是报错呢。这是运行后显示的内容： zym@zym-To-be-filled-by-O-E-M:~$ cd ~/QE/7.23 zym@zym-To-be-filled-by-O-E-M:~/QE/7.23$ pw.x < si.scf.in > si.scf.out -------------------------------------------------------------------------- MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD with errorcode 0. NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes. You may or may not see output from other processes, depending on exactly when Open MPI kills them. 这是我的输入内容 &CONTROL calculation = 'nscf' , outdir = './' , pseudo_dir = './' , prefix = 'silicon' , / &SYSTEM ibrav = 2, celldm(1) = 10.2, nat = 2, ntyp = 1, ecutwfc = 12.0 , nbnd = 8, exxdiv_treatment = 'gygi-baldereschi' , / &ELECTRONS / ATOMIC_SPECIES Si 28.08600 Si.vbc.UPF ATOMIC_POSITIONS alat Si 0.000000000 0.000000000 0.000000000 Si 0.250000000 0.250000000 0.250000000 K_POINTS tpiba 36 0.500000000 0.500000000 0.500000000 1.000000000 0.400000000 0.400000000 0.400000000 2.000000000 0.300000000 0.300000000 0.300000000 3.000000000 0.200000000 0.200000000 0.200000000 4.000000000 0.100000000 0.100000000 0.100000000 5.000000000 0.000000000 0.000000000 0.000000000 6.000000000 0.000000000 0.000000000 0.100000000 7.000000000 0.000000000 0.000000000 0.200000000 8.000000000 0.000000000 0.000000000 0.300000000 9.000000000 0.000000000 0.000000000 0.400000000 10.000000000 0.000000000 0.000000000 0.500000000 11.000000000 0.000000000 0.000000000 0.600000000 12.000000000 0.000000000 0.000000000 0.700000000 13.000000000 0.000000000 0.000000000 0.800000000 14.000000000 0.000000000 0.000000000 0.900000000 15.000000000 0.000000000 0.000000000 1.000000000 16.000000000 0.000000000 0.100000000 1.000000000 17.000000000 0.000000000 0.200000000 1.000000000 18.000000000 0.000000000 0.300000000 1.000000000 19.000000000 0.000000000 0.400000000 1.000000000 20.000000000 0.000000000 0.500000000 1.000000000 21.000000000 0.000000000 0.600000000 1.000000000 22.000000000 0.000000000 0.700000000 1.000000000 23.000000000 0.000000000 0.800000000 1.000000000 24.000000000 0.000000000 0.900000000 1.000000000 25.000000000 0.000000000 1.000000000 1.000000000 26.000000000 0.000000000 0.900000000 0.900000000 27.000000000 0.000000000 0.800000000 0.800000000 28.000000000 0.000000000 0.700000000 0.700000000 29.000000000 0.000000000 0.600000000 0.600000000 30.000000000 0.000000000 0.500000000 0.500000000 31.000000000 0.000000000 0.400000000 0.400000000 32.000000000 0.000000000 0.300000000 0.300000000 33.000000000 0.000000000 0.200000000 0.200000000 34.000000000 0.000000000 0.100000000 0.100000000 35.000000000 0.000000000 0.000000000 0.000000000 36.000000000 感激不尽！ |
3楼2013-07-28 10:27:21
liqizuiyang
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4楼2013-07-28 19:45:06
gswylq
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5楼2013-07-29 21:47:55
