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lammps/examples/USER/atc/mesh/gaussianIC2d_hex_uniform.screen
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gaussianIC2d_hex_uniform.screen
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LAMMPS (24 Aug 2013)
units real
atom_style atomic
variable L equal 12
variable l2 equal 6
variable l equal 4
variable w equal 2
lattice fcc 5.405 origin 0.25 0.25 0.25
Lattice spacing in x,y,z = 5.405 5.405 5.405
region mdInternal block -$l $l -$l $l -$w $w
region mdInternal block -4 $l -$l $l -$w $w
region mdInternal block -4 4 -$l $l -$w $w
region mdInternal block -4 4 -4 $l -$w $w
region mdInternal block -4 4 -4 4 -$w $w
region mdInternal block -4 4 -4 4 -2 $w
region mdInternal block -4 4 -4 4 -2 2
boundary f f f # p
pair_style lj/cut 13.5
read_data temp.init
Reading data file ...
orthogonal box = (-64.86 -64.86 -10.81) to (64.86 64.86 10.81)
2 by 2 by 1 MPI processor grid
2304 atoms
2304 velocities
fix ZWALLS all wall/reflect zlo EDGE zhi EDGE
mass 1 39.95
pair_coeff 1 1 .238 3.405 13.5
group internal region mdInternal
1024 atoms in group internal
fix AtC internal atc two_temperature Ar_ttm.mat
ATC: constructing two_temperature coupling with parameter file Ar_ttm.mat
ATC: version 2.0
ATC: peratom PE compute created with ID: 3
ATC: P1, ERROR: mesh file is of unknown type.
ATC: P2, ERROR: mesh file is of unknown type.
ATC: P3, ERROR: mesh file is of unknown type.
ATC: 2 materials defined from Ar_ttm.mat
ATC: creating two_temperature extrinsic model
ATC: 2 materials defined from Ar_ttm.mat
#fix_modify AtC mesh read gaussianIC2d_hex_uniform.mesh f f p
fix_modify AtC mesh read gaussianIC2d_hex_uniform.exo f f p
ATC: P0, ERROR: mesh file is of unknown type.
terminate called after throwing an instance of 'ATC::ATC_Error'
[pharsalus:10268] *** Process received signal ***
[pharsalus:10268] Signal: Aborted (6)
[pharsalus:10268] Signal code: (-6)
terminate called after throwing an instance of 'ATC::ATC_Error'
[pharsalus:10270] *** Process received signal ***
[pharsalus:10270] Signal: Aborted (6)
[pharsalus:10270] Signal code: (-6)
terminate called after throwing an instance of 'ATC::ATC_Error'
[pharsalus:10272] *** Process received signal ***
[pharsalus:10272] Signal: Aborted (6)
[pharsalus:10272] Signal code: (-6)
terminate called after throwing an instance of 'ATC::ATC_Error'
[pharsalus:10264] *** Process received signal ***
[pharsalus:10264] Signal: Aborted (6)
[pharsalus:10264] Signal code: (-6)
[pharsalus:10272] [ 0] /lib64/libpthread.so.0() [0x3e7ce0f500]
[pharsalus:10272] [ 1] /lib64/libc.so.6(gsignal+0x35) [0x3e7c2328a5]
[pharsalus:10272] [ 2] /lib64/libc.so.6(abort+0x175) [0x3e7c234085]
[pharsalus:10272] [ 3] /usr/lib64/libstdc++.so.6(_ZN9__gnu_cxx27__verbose_terminate_handlerEv+0x12d) [0x3e83ebea5d]
[pharsalus:10272] [ 4] /usr/lib64/libstdc++.so.6() [0x3e83ebcbe6]
[pharsalus:10272] [ 5] /usr/lib64/libstdc++.so.6() [0x3e83ebcc13]
[pharsalus:10272] [ 6] /usr/lib64/libstdc++.so.6(__cxa_rethrow+0x46) [0x3e83ebcc96]
[pharsalus:10272] [ 7] ../../../lmp_openmpi(_ZN9LAMMPS_NS6FixATC12modify_paramEiPPc+0x70) [0x68d540]
[pharsalus:10272] [ 8] ../../../lmp_openmpi(_ZN9LAMMPS_NS3Fix13modify_paramsEiPPc+0xb9) [0x6b5709]
[pharsalus:10272] [ 9] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15execute_commandEv+0xcab) [0x795e7b]
[pharsalus:10272] [10] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input4fileEv+0x63c) [0x79795c]
[pharsalus:10272] [11] ../../../lmp_openmpi(main+0x49) [0x7a5899]
[pharsalus:10272] [12] /lib64/libc.so.6(__libc_start_main+0xfd) [0x3e7c21ecdd]
[pharsalus:10272] [13] ../../../lmp_openmpi() [0x538069]
[pharsalus:10272] *** End of error message ***
[pharsalus:10268] [ 0] /lib64/libpthread.so.0() [0x3e7ce0f500]
[pharsalus:10268] [ 1] /lib64/libc.so.6(gsignal+0x35) [0x3e7c2328a5]
[pharsalus:10268] [ 2] /lib64/libc.so.6(abort+0x175) [0x3e7c234085]
[pharsalus:10268] [ 3] /usr/lib64/libstdc++.so.6(_ZN9__gnu_cxx27__verbose_terminate_handlerEv+0x12d) [0x3e83ebea5d]
[pharsalus:10268] [ 4] /usr/lib64/libstdc++.so.6() [0x3e83ebcbe6]
[pharsalus:10268] [ 5] /usr/lib64/libstdc++.so.6() [0x3e83ebcc13]
[pharsalus:10268] [ 6] /usr/lib64/libstdc++.so.6(__cxa_rethrow+0x46) [0x3e83ebcc96]
[pharsalus:10268] [ 7] ../../../lmp_openmpi(_ZN9LAMMPS_NS6FixATC12modify_paramEiPPc+0x70) [0x68d540]
[pharsalus:10268] [ 8] ../../../lmp_openmpi(_ZN9LAMMPS_NS3Fix13modify_paramsEiPPc+0xb9) [0x6b5709]
[pharsalus:10268] [ 9] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15execute_commandEv+0xcab) [0x795e7b]
[pharsalus:10268] [10] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input4fileEv+0x63c) [0x79795c]
[pharsalus:10268] [11] ../../../lmp_openmpi(main+0x49) [0x7a5899]
[pharsalus:10268] [12] /lib64/libc.so.6(__libc_start_main+0xfd) [0x3e7c21ecdd]
[pharsalus:10268] [13] ../../../lmp_openmpi() [0x538069]
[pharsalus:10268] *** End of error message ***
[pharsalus:10270] [ 0] /lib64/libpthread.so.0() [0x3e7ce0f500]
[pharsalus:10270] [ 1] /lib64/libc.so.6(gsignal+0x35) [0x3e7c2328a5]
[pharsalus:10270] [ 2] /lib64/libc.so.6(abort+0x175) [0x3e7c234085]
[pharsalus:10270] [ 3] /usr/lib64/libstdc++.so.6(_ZN9__gnu_cxx27__verbose_terminate_handlerEv+0x12d) [0x3e83ebea5d]
[pharsalus:10270] [ 4] /usr/lib64/libstdc++.so.6() [0x3e83ebcbe6]
[pharsalus:10270] [ 5] /usr/lib64/libstdc++.so.6() [0x3e83ebcc13]
[pharsalus:10270] [ 6] /usr/lib64/libstdc++.so.6(__cxa_rethrow+0x46) [0x3e83ebcc96]
[pharsalus:10270] [ 7] ../../../lmp_openmpi(_ZN9LAMMPS_NS6FixATC12modify_paramEiPPc+0x70) [0x68d540]
[pharsalus:10270] [ 8] ../../../lmp_openmpi(_ZN9LAMMPS_NS3Fix13modify_paramsEiPPc+0xb9) [0x6b5709]
[pharsalus:10270] [ 9] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15execute_commandEv+0xcab) [0x795e7b]
[pharsalus:10270] [10] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input4fileEv+0x63c) [0x79795c]
[pharsalus:10270] [11] ../../../lmp_openmpi(main+0x49) [0x7a5899]
[pharsalus:10270] [12] /lib64/libc.so.6(__libc_start_main+0xfd) [0x3e7c21ecdd]
[pharsalus:10270] [13] ../../../lmp_openmpi() [0x538069]
[pharsalus:10270] *** End of error message ***
[pharsalus:10264] [ 0] /lib64/libpthread.so.0() [0x3e7ce0f500]
[pharsalus:10264] [ 1] /lib64/libc.so.6(gsignal+0x35) [0x3e7c2328a5]
[pharsalus:10264] [ 2] /lib64/libc.so.6(abort+0x175) [0x3e7c234085]
[pharsalus:10264] [ 3] /usr/lib64/libstdc++.so.6(_ZN9__gnu_cxx27__verbose_terminate_handlerEv+0x12d) [0x3e83ebea5d]
[pharsalus:10264] [ 4] /usr/lib64/libstdc++.so.6() [0x3e83ebcbe6]
[pharsalus:10264] [ 5] /usr/lib64/libstdc++.so.6() [0x3e83ebcc13]
[pharsalus:10264] [ 6] /usr/lib64/libstdc++.so.6(__cxa_rethrow+0x46) [0x3e83ebcc96]
[pharsalus:10264] [ 7] ../../../lmp_openmpi(_ZN9LAMMPS_NS6FixATC12modify_paramEiPPc+0x70) [0x68d540]
[pharsalus:10264] [ 8] ../../../lmp_openmpi(_ZN9LAMMPS_NS3Fix13modify_paramsEiPPc+0xb9) [0x6b5709]
[pharsalus:10264] [ 9] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15execute_commandEv+0xcab) [0x795e7b]
[pharsalus:10264] [10] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input4fileEv+0x63c) [0x79795c]
[pharsalus:10264] [11] ../../../lmp_openmpi(main+0x49) [0x7a5899]
[pharsalus:10264] [12] /lib64/libc.so.6(__libc_start_main+0xfd) [0x3e7c21ecdd]
[pharsalus:10264] [13] ../../../lmp_openmpi() [0x538069]
[pharsalus:10264] *** End of error message ***
--------------------------------------------------------------------------
mpirun noticed that process rank 2 with PID 10270 on node pharsalus exited on signal 6 (Aborted).
--------------------------------------------------------------------------
3 total processes killed (some possibly by mpirun during cleanup)
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