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15584178412银虫 (小有名气)
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[求助]
用ubuntu版本lammas仿真中出现下列从没出现的错误，怎么回事，有出现过这样错误的吗
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lammps外部导入模型后，不能minimize优化，然后把minimize去了还是不行都是图中的结果，我以为是软件安装问题，但是运行试运行别的例子却好使，瞬间不知所措了，是模型建的有问题吗？跪求各位大神解答 2018-07-17 18-19-44屏幕截图.png |
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15584178412
银虫 (小有名气)
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#--------setting-------------------------- velocity boundary set 0 0 0 units box velocity newton set 0 0 0 units box #veloctiy thermo create 297.0 66414 rot yes dist gaussian velocity thermo create 297.0 54132 rot yes dist gaussian velocity tool set -1 0 0 units box #--------compute-------------------------- compute 1 all ke/atom compute 2 all pe/atom compute 3 all pressure thermo_temp virial compute 4 all stress/atom NULL virial compute 5 hp4 stress/atom NULL virial #compute 6 reduce sum c_5[1] c_5[2] c_5[3] compute 6 hp4 reduce sum c_5[1] c_5[2] c_5[3] #variable hp4stress atom compute 7 hp4 group/group tool fix ptool hp4 ave/time 1000 1 1000 c_7 file Ptool.txt #compute 8 all displace/atom compute 8 all displace/atom #--------fix-------------------------- fix 1 all nve fix 2 boundary setforce 0.0 0.0 0.0 fix 3 thermo temp/rescale 100 293 293 0.01 1.0 thermo_style custom step atoms pe ke pxx pyy pzz pxy pxz pyz vol press xlo xhi ylo yhi zlo zhi #--------output-------------------------- #dump 1 all custom 1000 AL.lammpstrj id type x y z vx vy vz c_1 c_2 c_4 c_5 dump 1 all custom 1000 new.l log文件就到dump就没了 如果加上minimize就成这样了 LAMMPS (11 Aug 2017) units metal atom_style atomic boundary s s p ##-------- region simubox block 0.0000000 315.0000000 0.0000000 193.00000000 0.00000000 70.400000000 units box read_data simula.lmp group simubox orthogonal box = (0 0 0) to (315 193 70.4) 1 by 1 by 1 MPI processor grid reading atoms ... 267089 atoms #-------------------硬质相建模---------------- region hp1 block 33.64 59.64 23.96 49.96 22.2 48.2 units box region hp2 block 80.28 106.28 23.96 49.96 22.2 48.2 units box region hp3 block 127.92 153.92 23.96 49.96 22.2 48.2 units box region hp4 block 127.92 153.92 97.88 123.88 22.2 48.2 units box region hp5 block 81.28 105.28 100.88 124.88 23.2 47.2 units box region hp6 block 33.64 59.64 97.88 123.88 22.2 48.2 units box region hp7 block 77.78 92.78 65.92 81.92 27.2 43.2 units box group hp1 region hp1 1575 atoms in group hp1 group hp2 region hp2 1687 atoms in group hp2 group hp3 region hp3 1688 atoms in group hp3 group hp4 region hp4 1688 atoms in group hp4 group hp5 region hp5 1098 atoms in group hp5 group hp6 region hp6 1575 atoms in group hp6 group hp7 region hp7 324 atoms in group hp7 #-------------------刀具建模------------------ region tool block 120.0000000 315.00000000 73.0000000 193.0000000 0 70.4 units box group tool region tool 120089 atoms in group tool #-----------工件建模---------------- region work block 0.00000000 186.56000000 0.00000000 147.84000000 0.00000000 70.40000000 units box region r1 block INF 10 INF INF INF INF units box region r2 block INF INF INF 10 INF INF units box region boundary union 2 r1 r2 units box region r4 block 10 20 INF INF INF INF units box region r5 block INF INF 10 20 INF INF units box region thermo union 2 r4 r5 units box group work region work 178080 atoms in group work group boundary region boundary 22080 atoms in group boundary group thermo region thermo 22080 atoms in group thermo group workzone subtract work boundary 156000 atoms in group workzone group newton subtract work boundary thermo 135360 atoms in group newton #--------mass-------------------------- change_box all boundary s s p remap units box #--------force-------------------------- pair_style hybrid/overlay eam/alloy tersoff morse 3.5 pair_coeff * * eam/alloy FeNiCr.eam.alloy Ni Cr Fe NULL NULL NULL NULL pair_coeff * * eam/alloy Ni3Al.eam.alloy NULL NULL NULL Ni Al NULL NULL pair_coeff * * tersoff SiC.tersoff NULL NULL NULL NULL NULL C Si Reading potential file SiC.tersoff with DATE: 2011-04-26 pair_coeff 1 6 morse 1.009392 1.98745 2.619941 pair_coeff 1 7 morse 1.488438 1.03615 2.800604 pair_coeff 3 6 morse 1.005664 1.97175 2.649299 pair_coeff 3 7 morse 1.482941 1.02045 2.835844 pair_coeff 2 6 morse 1.034172 2.06355 2.617589 pair_coeff 2 7 morse 1.524979 1.11225 2.764698 pair_coeff 4 6 morse 1.009392 1.98745 2.619941 pair_coeff 4 7 morse 1.488438 1.03615 2.800604 pair_coeff 5 6 morse 1.809282 1.85980 2.818508 pair_coeff 5 7 morse 1.193358 0.90850 3.058498 minimize 0 0 50000 500000 WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (../min.cpp:168) Neighbor list info ... update every 1 steps, delay 0 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 8.72488 ghost atom cutoff = 8.72488 binsize = 4.36244, bins = 73 45 17 5 neighbor lists, perpetual/occasional/extra = 5 0 0 (1) pair eam/alloy, perpetual, skip from (4) attributes: half, newton on pair build: skip stencil: none bin: none (2) pair tersoff, perpetual, skip from (5) attributes: full, newton on pair build: skip stencil: none bin: none (3) pair morse, perpetual, skip from (4) attributes: half, newton on pair build: skip stencil: none bin: none (4) neighbor class addition, perpetual, half/full from (5) attributes: half, newton on pair build: halffull/newton stencil: none bin: none (5) neighbor class addition, perpetual attributes: full, newton on pair build: full/bin/atomonly stencil: full/bin/3d bi |
2楼2018-07-17 18:39:12
月语星愿
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3楼2018-07-18 11:37:42
15584178412
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4楼2018-07-19 09:00:16
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