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lammps运行报错求大神指导
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NiTi合金空心圆柱从内向外施加冲击的模型，试运行总是报错，求大神帮忙看看问题出在哪里 Sample Text units metal boundary s s p variable cylR equal 300 ##Radius of the cylinder sample variable cylH equal 100 ## Height of the cylinder variable initialWallR equal ${myCyl_dele}+10 ## Initial radius of the potential surface variable vexpand equal 6 ################## lattice bcc 3.008 region SimBox block -400 400 -400 400 0 ${cylH} units box create_box 2 SimBox #Define sample region myCyl cylinder z 0 0 ${cylR} 0 ${cylH} units box create_atoms 1 region myCyl basis 1 2 basis 2 1 region myCyl_del cylinder z 0 0 100 0 ${cylH} units box delete_atoms region myCyl_del region myCyl_dele cylinder z 0 0 90 0 ${cylH} units box delete_atoms region myCyl_dele mass 1 58.6934 #Ni mass 2 47.867 #Ti set type 2 type/fraction 1 0.04 1000000 write_data NiTi.xyz #Choose potential pair_style eam/fs pair_coeff * * NiTipotential2.eam.fs Ti Ni # Setup output thermo 100 thermo_style custom step temp press pxx pyy pzz vol fmax thermo_modify norm no #compute local atom state compute virialStress all stress/atom NULL virial ###Not include ke part compute k all ke/atom compute p all pe/atom #minimize min_style cg minimize 1.0e-15 1.0e-15 10000 10000 #run reset_timestep 0 timestep 0.0005 variable time equal step*dt variable R equal ${initialWallR}+(v_time)*(${vexpand}) region potentialSurface cylinder z 0 0 v_R -1000 1000 units box variable time_eq equal 10000 # time steps for the equlibration part fix 1 all wall/region potentialSurface lj93 1.0 1.0 2.5 fix 2 all nve dump 1 all custom 100 ./dump.expand.* id type x y z vx c_virialStress[1] c_virialStress[2] c_virialStress[3] c_k c_p run 1000 ######################################## unfix 1 unfix 2 undump 1 fix 2 all nve dump 1 all custom 100 ./dump.expand.* id type x y z vx c_virialStress[1] c_virialStress[2] c_virialStress[3] c_k c_p run 1000 Sample Text 系统无法在消息文件中为 Application 找到消息号为 0x2350 的消息文本。 (c) 2020 Microsoft Corporation. 保留所有权利。 内存资源不足，无法处理此命令。 I:\gs\试运行外爆>mpiexec -localonly 18 lmp_mpi -in inNiTi1 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 3 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 13 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 16 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 6 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 7 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 1 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 2 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 8 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 4 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 9 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 17 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 14 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 15 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 5 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 10 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 12 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 11 ERROR on proc 9: Substitution for illegal variable (../input.cpp:530) ERROR on proc 3: Substitution for illegal variable (../input.cpp:530) ERROR on proc 6: Substitution for illegal variable (../input.cpp:530) ERROR on proc 16: Substitution for illegal variable (../input.cpp:530) ERROR on proc 13: Substitution for illegal variable (../input.cpp:530) ERROR on proc 2: Substitution for illegal variable (../input.cpp:530) ERROR on proc 12: Substitution for illegal variable (../input.cpp:530) ERROR on proc 11: Substitution for illegal variable (../input.cpp:530) ERROR on proc 8: Substitution for illegal variable (../input.cpp:530) ERROR on proc 5: Substitution for illegal variable (../input.cpp:530) ERROR on proc 15: Substitution for illegal variable (../input.cpp:530) ERROR on proc 17: Substitution for illegal variable (../input.cpp:530) ERROR on proc 1: Substitution for illegal variable (../input.cpp:530) ERROR on proc 14: Substitution for illegal variable (../input.cpp:530) ERROR on proc 10: Substitution for illegal variable (../input.cpp:530) ERROR on proc 7: Substitution for illegal variable (../input.cpp:530) LAMMPS (22 Jul 2015-ICMS) WARNING: OMP_NUM_THREADS environment is not set. (../comm.cpp:89) using 1 OpenMP thread(s) per MPI task ERROR on proc 0: Substitution for illegal variable (../input.cpp:530) ERROR on proc 4: Substitution for illegal variable (../input.cpp:530) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) received suspend command for a pmi context that doesn't exist: unmatched id = 17 received suspend command for a pmi context that doesn't exist: unmatched id = 16 received suspend command for a pmi context that doesn't exist: unmatched id = 15 received suspend command for a pmi context that doesn't exist: unmatched id = 14 received suspend command for a pmi context that doesn't exist: unmatched id = 13 received suspend command for a pmi context that doesn't exist: unmatched id = 12 received suspend command for a pmi context that doesn't exist: unmatched id = 11 received suspend command for a pmi context that doesn't exist: unmatched id = 10 job aborted: received suspend command for a pmi context that doesn't exist: unmatched id = 9 rank: node: exit code[: error message] 0: DESKTOP-PEHDSA2: 1: process 0 exited without calling finalize 1: DESKTOP-PEHDSA2: 1received suspend command for a pmi context that doesn't exist: unmatched id = 8 : process 1 exited without calling finalize 2: DESKTOP-PEHDSA2: 1: process 2 exited without calling finalize 3: DESKTOP-PEHDSA2: 1: process 3 exited without calling finalize 4: DESKTOP-PEHDSA2: 1received suspend command for a pmi context that doesn't exist: unmatched id = 7 : process 4 exited without calling finalize 5: DESKTOP-PEHDSA2: 1: process 5 exited without calling finalize 6: DESKTOP-PEHDSA2: 1: process 6 exited without calling finalize 7: DESKTOP-PEHDSA2: 1: process 7 exited without calling finalizereceived suspend command for a pmi context that doesn't exist: unmatched id = 5 8: DESKTOP-PEHDSA2: 1: process 8 exited without calling finalize 9: DESKTOP-PEHDSA2: 1: process 9 exited without calling finalize received suspend command for a pmi context that doesn't exist: unmatched id = 4 10: DESKTOP-PEHDSA2: 1: process 10 exited without calling finalize 11: DESKTOP-PEHDSA2: 1: process 11 exited without calling finalize 12: DESKTOP-PEHDSA2: 1: process 12 exited without calling finalize received suspend command for a pmi context that doesn't exist: unmatched id = 3 13: DESKTOP-PEHDSA2: 1: process 13 exited without calling finalize 14: DESKTOP-PEHDSA2: 1: process 14 exited without calling finalize 15: DESKTOP-PEHDSA2: 1: process 15 exited without calling finalize received suspend command for a pmi context that doesn't exist: unmatched id = 2 16: DESKTOP-PEHDSA2: 1: process 16 exited without calling finalize 17: DESKTOP-PEHDSA2: 1: process 17 exited without calling finalize received suspend command for a pmi context that doesn't exist: unmatched id = 1 received suspend command for a pmi context that doesn't exist: unmatched id = 0 I:\gs\试运行外爆> 系统无法在消息文件中为 Application 找到消息号为 0x2350 的消息文本。 (c) 2020 Microsoft Corporation. 保留所有权利。 内存资源不足，无法处理此命令。 I:\gs\试运行外爆>mpiexec -localonly 18 lmp_mpi -in inNiTi1 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 3 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 13 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 16 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 6 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 7 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 1 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 2 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 8 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 4 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 9 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 17 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 14 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 15 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 5 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 10 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 12 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 11 ERROR on proc 9: Substitution for illegal variable (../input.cpp:530) ERROR on proc 3: Substitution for illegal variable (../input.cpp:530) ERROR on proc 6: Substitution for illegal variable (../input.cpp:530) ERROR on proc 16: Substitution for illegal variable (../input.cpp:530) ERROR on proc 13: Substitution for illegal variable (../input.cpp:530) ERROR on proc 2: Substitution for illegal variable (../input.cpp:530) ERROR on proc 12: Substitution for illegal variable (../input.cpp:530) ERROR on proc 11: Substitution for illegal variable (../input.cpp:530) ERROR on proc 8: Substitution for illegal variable (../input.cpp:530) ERROR on proc 5: Substitution for illegal variable (../input.cpp:530) ERROR on proc 15: Substitution for illegal variable (../input.cpp:530) ERROR on proc 17: Substitution for illegal variable (../input.cpp:530) ERROR on proc 1: Substitution for illegal variable (../input.cpp:530) ERROR on proc 14: Substitution for illegal variable (../input.cpp:530) ERROR on proc 10: Substitution for illegal variable (../input.cpp:530) ERROR on proc 7: Substitution for illegal variable (../input.cpp:530) LAMMPS (22 Jul 2015-ICMS) WARNING: OMP_NUM_THREADS environment is not set. (../comm.cpp:89) using 1 OpenMP thread(s) per MPI task ERROR on proc 0: Substitution for illegal variable (../input.cpp:530) ERROR on proc 4: Substitution for illegal variable (../input.cpp:530) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) unable to read the cmd header on the pmi context, Error = -1 . Error posting readv, 远程主机强迫关闭了一个现有的连接。(10054) received suspend command for a pmi context that doesn't exist: unmatched id = 17 received suspend command for a pmi context that doesn't exist: unmatched id = 16 received suspend command for a pmi context that doesn't exist: unmatched id = 15 received suspend command for a pmi context that doesn't exist: unmatched id = 14 received suspend command for a pmi context that doesn't exist: unmatched id = 13 received suspend command for a pmi context that doesn't exist: unmatched id = 12 received suspend command for a pmi context that doesn't exist: unmatched id = 11 received suspend command for a pmi context that doesn't exist: unmatched id = 10 job aborted: received suspend command for a pmi context that doesn't exist: unmatched id = 9 rank: node: exit code[: error message] 0: DESKTOP-PEHDSA2: 1: process 0 exited without calling finalize 1: DESKTOP-PEHDSA2: 1received suspend command for a pmi context that doesn't exist: unmatched id = 8 : process 1 exited without calling finalize 2: DESKTOP-PEHDSA2: 1: process 2 exited without calling finalize 3: DESKTOP-PEHDSA2: 1: process 3 exited without calling finalize 4: DESKTOP-PEHDSA2: 1received suspend command for a pmi context that doesn't exist: unmatched id = 7 : process 4 exited without calling finalize 5: DESKTOP-PEHDSA2: 1: process 5 exited without calling finalize 6: DESKTOP-PEHDSA2: 1: process 6 exited without calling finalize 7: DESKTOP-PEHDSA2: 1: process 7 exited without calling finalizereceived suspend command for a pmi context that doesn't exist: unmatched id = 5 8: DESKTOP-PEHDSA2: 1: process 8 exited without calling finalize 9: DESKTOP-PEHDSA2: 1: process 9 exited without calling finalize received suspend command for a pmi context that doesn't exist: unmatched id = 4 10: DESKTOP-PEHDSA2: 1: process 10 exited without calling finalize 11: DESKTOP-PEHDSA2: 1: process 11 exited without calling finalize 12: DESKTOP-PEHDSA2: 1: process 12 exited without calling finalize received suspend command for a pmi context that doesn't exist: unmatched id = 3 13: DESKTOP-PEHDSA2: 1: process 13 exited without calling finalize 14: DESKTOP-PEHDSA2: 1: process 14 exited without calling finalize 15: DESKTOP-PEHDSA2: 1: process 15 exited without calling finalize received suspend command for a pmi context that doesn't exist: unmatched id = 2 16: DESKTOP-PEHDSA2: 1: process 16 exited without calling finalize 17: DESKTOP-PEHDSA2: 1: process 17 exited without calling finalize received suspend command for a pmi context that doesn't exist: unmatched id = 1 received suspend command for a pmi context that doesn't exist: unmatched id = 0 I:\gs\试运行外爆> |
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