forked from lijiext/lammps
127 lines
7.2 KiB
Plaintext
127 lines
7.2 KiB
Plaintext
LAMMPS (30 Aug 2013)
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units real
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atom_style atomic
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variable L equal 12
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variable l2 equal 6
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variable l equal 4
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variable w equal 2
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lattice fcc 5.405 origin 0.25 0.25 0.25
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Lattice spacing in x,y,z = 5.405 5.405 5.405
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region mdInternal block -$l $l -$l $l -$w $w
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region mdInternal block -4 $l -$l $l -$w $w
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region mdInternal block -4 4 -$l $l -$w $w
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region mdInternal block -4 4 -4 $l -$w $w
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region mdInternal block -4 4 -4 4 -$w $w
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region mdInternal block -4 4 -4 4 -2 $w
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region mdInternal block -4 4 -4 4 -2 2
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boundary f f f # p
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pair_style lj/cut 13.5
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read_data temp.init
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Reading data file ...
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orthogonal box = (-64.86 -64.86 -10.81) to (64.86 64.86 10.81)
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2 by 2 by 1 MPI processor grid
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2304 atoms
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2304 velocities
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fix ZWALLS all wall/reflect zlo EDGE zhi EDGE
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mass 1 39.95
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pair_coeff 1 1 .238 3.405 13.5
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group internal region mdInternal
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1024 atoms in group internal
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fix AtC internal atc two_temperature Ar_ttm.mat
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ATC: constructing two_temperature coupling with parameter file Ar_ttm.mat
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ATC: version 2.0
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ATC: peratom PE compute created with ID: 3
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terminate called after throwing an instance of ' ATC: 2 materials defined from Ar_ttm.mat
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ATC: creating two_temperature extrinsic model
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ATC: 2 materials defined from Ar_ttm.mat
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#fix_modify AtC mesh read gaussianIC2d_hex_uniform.mesh f f p
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fix_modify AtC mesh read gaussianIC2d_hex_uniform.exo f f p
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ATC: P0, ERROR: mesh file is of unknown type.
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ATC::ATC_Error'
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[pharsalus:01254] *** Process received signal ***
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[pharsalus:01254] Signal: Aborted (6)
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[pharsalus:01254] Signal code: (-6)
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[pharsalus:01254] [ 0] /lib64/libpthread.so.0() [0x3e7ce0f500]
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[pharsalus:01254] [ 1] /lib64/libc.so.6(gsignal+0x35) [0x3e7c2328a5]
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[pharsalus:01254] [ 2] /lib64/libc.so.6(abort+0x175) [0x3e7c234085]
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[pharsalus:01254] [ 3] /usr/lib64/libstdc++.so.6(_ZN9__gnu_cxx27__verbose_terminate_handlerEv+0x12d) [0x3e83ebea5d]
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[pharsalus:01254] [ 4] /usr/lib64/libstdc++.so.6() [0x3e83ebcbe6]
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[pharsalus:01254] [ 5] /usr/lib64/libstdc++.so.6() [0x3e83ebcc13]
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[pharsalus:01254] [ 6] /usr/lib64/libstdc++.so.6(__cxa_rethrow+0x46) [0x3e83ebcc96]
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[pharsalus:01254] [ 7] ../../../lmp_openmpi(_ZN9LAMMPS_NS6FixATC12modify_paramEiPPc+0x70) [0x697000]
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[pharsalus:01254] [ 8] ../../../lmp_openmpi(_ZN9LAMMPS_NS3Fix13modify_paramsEiPPc+0xb9) [0x691659]
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[pharsalus:01254] [ 9] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15execute_commandEv+0xcab) [0x79fe8b]
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[pharsalus:01254] [10] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input4fileEv+0x63c) [0x7a196c]
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[pharsalus:01254] [11] ../../../lmp_openmpi(main+0x49) [0x7af929]
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[pharsalus:01254] [12] /lib64/libc.so.6(__libc_start_main+0xfd) [0x3e7c21ecdd]
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[pharsalus:01254] [13] ../../../lmp_openmpi() [0x53b429]
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[pharsalus:01254] *** End of error message ***
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ATC: P3, ERROR: mesh file is of unknown type.
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ATC: P1, ERROR: mesh file is of unknown type.
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terminate called after throwing an instance of 'ATC::ATC_Errorterminate called after throwing an instance of 'ATC::ATC_Error'
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'
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[pharsalus:01257] *** Process received signal ***
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[pharsalus:01257] Signal: Aborted (6)
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[pharsalus:01257] Signal code: (-6)
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[pharsalus:01265] *** Process received signal ***
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[pharsalus:01265] Signal: Aborted (6)
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[pharsalus:01265] Signal code: (-6)
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[pharsalus:01265] [ 0] /lib64/libpthread.so.0() [0x3e7ce0f500]
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[pharsalus:01265] [ 1] /lib64/libc.so.6(gsignal+0x35) [0x3e7c2328a5]
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[pharsalus:01265] [ 2] /lib64/libc.so.6(abort+0x175) [0x3e7c234085]
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[pharsalus:01265] [ 3] /usr/lib64/libstdc++.so.6(_ZN9__gnu_cxx27__verbose_terminate_handlerEv+0x12d) [0x3e83ebea5d]
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[pharsalus:01265] [ 4] /usr/lib64/libstdc++.so.6() [0x3e83ebcbe6]
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[pharsalus:01265] [ 5] /usr/lib64/libstdc++.so.6() [0x3e83ebcc13]
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[pharsalus:01265] [ 6] /usr/lib64/libstdc++.so.6(__cxa_rethrow+0x46) [0x3e83ebcc96]
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[pharsalus:01265] [ 7] ../../../lmp_openmpi(_ZN9LAMMPS_NS6FixATC12modify_paramEiPPc+0x70) [0x697000]
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[pharsalus:01265] [ 8] ../../../lmp_openmpi(_ZN9LAMMPS_NS3Fix13modify_paramsEiPPc+0xb9) [0x691659]
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[pharsalus:01265] [ 9] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15execute_commandEv+0xcab) [0x79fe8b]
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[pharsalus:01265] [10] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input4fileEv+0x63c) [0x7a196c]
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[pharsalus:01265] [11] ../../../lmp_openmpi(main+0x49) [0x7af929]
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[pharsalus:01265] [12] /lib64/libc.so.6(__libc_start_main+0xfd) [0x3e7c21ecdd]
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[pharsalus:01265] [13] ../../../lmp_openmpi() [0x53b429]
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[pharsalus:01265] *** End of error message ***
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ATC: P2, ERROR: mesh file is of unknown type.
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terminate called after throwing an instance of 'ATC::ATC_Error'
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[pharsalus:01262] *** Process received signal ***
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[pharsalus:01262] Signal: Aborted (6)
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[pharsalus:01262] Signal code: (-6)
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[pharsalus:01257] [ 0] /lib64/libpthread.so.0() [0x3e7ce0f500]
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[pharsalus:01257] [ 1] /lib64/libc.so.6(gsignal+0x35) [0x3e7c2328a5]
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[pharsalus:01257] [ 2] /lib64/libc.so.6(abort+0x175) [0x3e7c234085]
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[pharsalus:01257] [ 3] /usr/lib64/libstdc++.so.6(_ZN9__gnu_cxx27__verbose_terminate_handlerEv+0x12d) [0x3e83ebea5d]
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[pharsalus:01257] [ 4] /usr/lib64/libstdc++.so.6() [0x3e83ebcbe6]
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[pharsalus:01257] [ 5] /usr/lib64/libstdc++.so.6() [0x3e83ebcc13]
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[pharsalus:01257] [ 6] /usr/lib64/libstdc++.so.6(__cxa_rethrow+0x46) [0x3e83ebcc96]
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[pharsalus:01257] [ 7] ../../../lmp_openmpi(_ZN9LAMMPS_NS6FixATC12modify_paramEiPPc+0x70) [0x697000]
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[pharsalus:01257] [ 8] ../../../lmp_openmpi(_ZN9LAMMPS_NS3Fix13modify_paramsEiPPc+0xb9) [0x691659]
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[pharsalus:01257] [ 9] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15execute_commandEv+0xcab) [0x79fe8b]
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[pharsalus:01257] [10] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input4fileEv+0x63c) [0x7a196c]
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[pharsalus:01257] [11] ../../../lmp_openmpi(main+0x49) [0x7af929]
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[pharsalus:01257] [12] /lib64/libc.so.6(__libc_start_main+0xfd) [0x3e7c21ecdd]
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[pharsalus:01257] [13] ../../../lmp_openmpi() [0x53b429]
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[pharsalus:01257] *** End of error message ***
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[pharsalus:01262] [ 0] /lib64/libpthread.so.0() [0x3e7ce0f500]
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[pharsalus:01262] [ 1] /lib64/libc.so.6(gsignal+0x35) [0x3e7c2328a5]
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[pharsalus:01262] [ 2] /lib64/libc.so.6(abort+0x175) [0x3e7c234085]
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[pharsalus:01262] [ 3] /usr/lib64/libstdc++.so.6(_ZN9__gnu_cxx27__verbose_terminate_handlerEv+0x12d) [0x3e83ebea5d]
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[pharsalus:01262] [ 4] /usr/lib64/libstdc++.so.6() [0x3e83ebcbe6]
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[pharsalus:01262] [ 5] /usr/lib64/libstdc++.so.6() [0x3e83ebcc13]
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[pharsalus:01262] [ 6] /usr/lib64/libstdc++.so.6(__cxa_rethrow+0x46) [0x3e83ebcc96]
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[pharsalus:01262] [ 7] ../../../lmp_openmpi(_ZN9LAMMPS_NS6FixATC12modify_paramEiPPc+0x70) [0x697000]
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[pharsalus:01262] [ 8] ../../../lmp_openmpi(_ZN9LAMMPS_NS3Fix13modify_paramsEiPPc+0xb9) [0x691659]
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[pharsalus:01262] [ 9] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15execute_commandEv+0xcab) [0x79fe8b]
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[pharsalus:01262] [10] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input4fileEv+0x63c) [0x7a196c]
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[pharsalus:01262] [11] ../../../lmp_openmpi(main+0x49) [0x7af929]
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[pharsalus:01262] [12] /lib64/libc.so.6(__libc_start_main+0xfd) [0x3e7c21ecdd]
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[pharsalus:01262] [13] ../../../lmp_openmpi() [0x53b429]
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[pharsalus:01262] *** End of error message ***
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--------------------------------------------------------------------------
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mpirun noticed that process rank 1 with PID 1257 on node pharsalus exited on signal 6 (Aborted).
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--------------------------------------------------------------------------
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2 total processes killed (some possibly by mpirun during cleanup)
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