LAMMPS (30 Aug 2013) units real atom_style atomic # create domain lattice fcc 5.256227487 origin 0.25 0.25 0.25 Lattice spacing in x,y,z = 5.25623 5.25623 5.25623 region BOX block -8 8 -2 2 -2 2 boundary f p p create_box 1 BOX Created orthogonal box = (-42.0498 -10.5125 -10.5125) to (42.0498 10.5125 10.5125) 4 by 1 by 1 MPI processor grid # create atoms region MD block -7 7 -2 2 -2 2 create_atoms 1 region MD Created 896 atoms mass 1 39.95 # specify interal/ghost atoms region FREE block -6 6 -2 2 -2 2 group internal region FREE 768 atoms in group internal # specify inter-atomic potential pair_style lj/cut 13.5 pair_coeff 1 1 0.238 3.405 # specify neighbor/re-neighboring parameters neighbor 0.3 bin neigh_modify every 10 delay 0 check no # setup thermal output thermo 10 thermo_style custom step pe ke press lx ly lz # ID group atc PhysicsType ParameterFile fix AtC internal atc field Ar_CauchyBorn.mat ATC: constructing shape function field estimate with parameter file Ar_CauchyBorn.mat ATC: version 2.0 ATC: peratom PE compute created with ID: 3 ATC: P1, ERROR: elastic_deformation_gradient is not a valid field ATC: P3, ERROR: elastic_deformation_gradient is not a valid field fix_modify AtC mesh create 8 1 1 BOX f p p ATC: created uniform mesh with 36 nodes, 9 unique nodes, and 8 elements fix_modify AtC fields none fix_modify AtC fields add displacement fix_modify AtC fields add internal_energy stress cauchy_born_energy cauchy_born_stress fix_modify AtC gradients add displacement fix_modify AtC fields add elastic_deformation_gradient ATC: P0, ERROR: elastic_deformation_gradient is not a valid field terminate called after throwing an instance of 'ATC::ATC_Error' [pharsalus:01453] *** Process received signal *** [pharsalus:01453] Signal: Aborted (6) [pharsalus:01453] Signal code: (-6) terminate called after throwing an instance of 'ATC::ATC_Error' [pharsalus:01450] *** Process received signal *** terminate called after throwing an instance of 'ATC::ATC_Error' [pharsalus:01451] *** Process received signal *** [pharsalus:01450] Signal: Aborted (6) [pharsalus:01450] Signal code: (-6) [pharsalus:01451] Signal: Aborted (6) [pharsalus:01451] Signal code: (-6) ATC: P2, ERROR: elastic_deformation_gradient is not a valid field terminate called after throwing an instance of 'ATC::ATC_Error' [pharsalus:01452] *** Process received signal *** [pharsalus:01452] Signal: Aborted (6) [pharsalus:01452] Signal code: (-6) [pharsalus:01453] [ 0] /lib64/libpthread.so.0() [0x3e7ce0f500] [pharsalus:01453] [ 1] /lib64/libc.so.6(gsignal+0x35) [0x3e7c2328a5] [pharsalus:01453] [ 2] /lib64/libc.so.6(abort+0x175) [0x3e7c234085] [pharsalus:01453] [ 3] /usr/lib64/libstdc++.so.6(_ZN9__gnu_cxx27__verbose_terminate_handlerEv+0x12d) [0x3e83ebea5d] [pharsalus:01453] [ 4] /usr/lib64/libstdc++.so.6() [0x3e83ebcbe6] [pharsalus:01453] [ 5] /usr/lib64/libstdc++.so.6() [0x3e83ebcc13] [pharsalus:01453] [ 6] /usr/lib64/libstdc++.so.6(__cxa_rethrow+0x46) [0x3e83ebcc96] [pharsalus:01453] [ 7] ../../../lmp_openmpi(_ZN9LAMMPS_NS6FixATC12modify_paramEiPPc+0x70) [0x697000] [pharsalus:01453] [ 8] ../../../lmp_openmpi(_ZN9LAMMPS_NS3Fix13modify_paramsEiPPc+0xb9) [0x691659] [pharsalus:01453] [ 9] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15execute_commandEv+0xcab) [0x79fe8b] [pharsalus:01453] [10] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input4fileEv+0x63c) [0x7a196c] [pharsalus:01453] [11] ../../../lmp_openmpi(main+0x49) [0x7af929] [pharsalus:01453] [12] /lib64/libc.so.6(__libc_start_main+0xfd) [0x3e7c21ecdd] [pharsalus:01453] [13] ../../../lmp_openmpi() [0x53b429] [pharsalus:01453] *** End of error message *** [pharsalus:01450] [ 0] /lib64/libpthread.so.0() [0x3e7ce0f500] [pharsalus:01450] [ 1] /lib64/libc.so.6(gsignal+0x35) [0x3e7c2328a5] [pharsalus:01450] [ 2] /lib64/libc.so.6(abort+0x175) [0x3e7c234085] [pharsalus:01450] [ 3] /usr/lib64/libstdc++.so.6(_ZN9__gnu_cxx27__verbose_terminate_handlerEv+0x12d) [0x3e83ebea5d] [pharsalus:01450] [ 4] /usr/lib64/libstdc++.so.6() [0x3e83ebcbe6] [pharsalus:01450] [ 5] /usr/lib64/libstdc++.so.6() [0x3e83ebcc13] [pharsalus:01450] [ 6] /usr/lib64/libstdc++.so.6(__cxa_rethrow+0x46) [0x3e83ebcc96] [pharsalus:01450] [ 7] ../../../lmp_openmpi(_ZN9LAMMPS_NS6FixATC12modify_paramEiPPc+0x70) [0x697000] [pharsalus:01450] [ 8] ../../../lmp_openmpi(_ZN9LAMMPS_NS3Fix13modify_paramsEiPPc+0xb9) [0x691659] [pharsalus:01450] [ 9] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15execute_commandEv+0xcab) [0x79fe8b] [pharsalus:01450] [10] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input4fileEv+0x63c) [0x7a196c] [pharsalus:01450] [11] ../../../lmp_openmpi(main+0x49) [0x7af929] [pharsalus:01450] [12] /lib64/libc.so.6(__libc_start_main+0xfd) [0x3e7c21ecdd] [pharsalus:01450] [13] ../../../lmp_openmpi() [0x53b429] [pharsalus:01450] *** End of error message *** [pharsalus:01451] [ 0] /lib64/libpthread.so.0() [0x3e7ce0f500] [pharsalus:01451] [ 1] /lib64/libc.so.6(gsignal+0x35) [0x3e7c2328a5] [pharsalus:01451] [ 2] /lib64/libc.so.6(abort+0x175) [0x3e7c234085] [pharsalus:01451] [ 3] /usr/lib64/libstdc++.so.6(_ZN9__gnu_cxx27__verbose_terminate_handlerEv+0x12d) [0x3e83ebea5d] [pharsalus:01451] [ 4] /usr/lib64/libstdc++.so.6() [0x3e83ebcbe6] [pharsalus:01451] [ 5] /usr/lib64/libstdc++.so.6() [0x3e83ebcc13] [pharsalus:01451] [ 6] /usr/lib64/libstdc++.so.6(__cxa_rethrow+0x46) [0x3e83ebcc96] [pharsalus:01451] [ 7] ../../../lmp_openmpi(_ZN9LAMMPS_NS6FixATC12modify_paramEiPPc+0x70) [0x697000] [pharsalus:01451] [ 8] ../../../lmp_openmpi(_ZN9LAMMPS_NS3Fix13modify_paramsEiPPc+0xb9) [0x691659] [pharsalus:01451] [ 9] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15execute_commandEv+0xcab) [0x79fe8b] [pharsalus:01451] [10] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input4fileEv+0x63c) [0x7a196c] [pharsalus:01451] [11] ../../../lmp_openmpi(main+0x49) [0x7af929] [pharsalus:01451] [12] /lib64/libc.so.6(__libc_start_main+0xfd) [0x3e7c21ecdd] [pharsalus:01451] [13] ../../../lmp_openmpi() [0x53b429] [pharsalus:01451] *** End of error message *** [pharsalus:01452] [ 0] /lib64/libpthread.so.0() [0x3e7ce0f500] [pharsalus:01452] [ 1] /lib64/libc.so.6(gsignal+0x35) [0x3e7c2328a5] [pharsalus:01452] [ 2] /lib64/libc.so.6(abort+0x175) [0x3e7c234085] [pharsalus:01452] [ 3] /usr/lib64/libstdc++.so.6(_ZN9__gnu_cxx27__verbose_terminate_handlerEv+0x12d) [0x3e83ebea5d] [pharsalus:01452] [ 4] /usr/lib64/libstdc++.so.6() [0x3e83ebcbe6] [pharsalus:01452] [ 5] /usr/lib64/libstdc++.so.6() [0x3e83ebcc13] [pharsalus:01452] [ 6] /usr/lib64/libstdc++.so.6(__cxa_rethrow+0x46) [0x3e83ebcc96] [pharsalus:01452] [ 7] ../../../lmp_openmpi(_ZN9LAMMPS_NS6FixATC12modify_paramEiPPc+0x70) [0x697000] [pharsalus:01452] [ 8] ../../../lmp_openmpi(_ZN9LAMMPS_NS3Fix13modify_paramsEiPPc+0xb9) [0x691659] [pharsalus:01452] [ 9] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input15execute_commandEv+0xcab) [0x79fe8b] [pharsalus:01452] [10] ../../../lmp_openmpi(_ZN9LAMMPS_NS5Input4fileEv+0x63c) [0x7a196c] [pharsalus:01452] [11] ../../../lmp_openmpi(main+0x49) [0x7af929] [pharsalus:01452] [12] /lib64/libc.so.6(__libc_start_main+0xfd) [0x3e7c21ecdd] [pharsalus:01452] [13] ../../../lmp_openmpi() [0x53b429] [pharsalus:01452] *** End of error message *** -------------------------------------------------------------------------- mpirun noticed that process rank 3 with PID 1453 on node pharsalus exited on signal 6 (Aborted). --------------------------------------------------------------------------