| 查看: 1036 | 回复: 3 | |||
313838515铁杆木虫 (正式写手)
|
[交流]
求助
|
|
请高手解答： in 文件 #3d friction dimension 3 boundary p s p units metal atom_style atomic neighbor 0.3 bin neigh_modify delay 5 #create geometry lattice diamond 3.65 region box block 0 10 0 10 0 10 create_box 2 box mass 1 55.85 mass 2 12.0 #atom region region lo-fixed block INF INF INF 1.1 INF INF region lo-slab block INF INF INF 7 INF INF region above-lo block INF INF INF 7 INF INF side out region hi-fixed block INF INF 1.1 INF INF INF region hi-slab block INF INF 7 INF INF INF region blow-hi block INF INF 7 INF INF INF side out #create 2 surfaces with asperities create_atoms 1 region lo-slab create_atoms 1 region hi-slab #potential parameters pair_style reax/c NULL pair_coeff * * ffield.reax.Fe_O_C_H Fe C fix 1 all qeq/reax 1 0.0 10.0 1.0e-6 reax/c #define groups group lo region lo-slab group lo type 1 group hi region hi-slab group hi type 2 group lo-fixed region lo-fixed group hi-fixed region hi-fixed group boundary union lo-fixed hi-fixed group mobile subtract all boundary set group lo-fixed type 1 set group hi-fixed type 2 #initial velocities velocity hi set 1.0 0.0 0.0 sum yes #fix fix 2 all nve fix 3 boundary setforce 0.0 0.0 0.0 fix 4 boundary temp/rescale 200 0.0 0.0 0.02 1.0 #run timestep 0.0025 thermo 1000 dump 1 all xyz 10 dump.xyz #ump 2 all atom 500 dump.friction #dump 1 all image.*.jpg type zoom 1.6 1 pad 5 #dump_modify 1 pad 5 run 20000 出错信息： LAMMPS (13 May 2014-ICMS) WARNING: OMP_NUM_THREADS environment is not set. (../comm_brick.cpp:82) using 1 OpenMP thread(s) per MPI task #3d friction dimension 3 boundary p s p units metal atom_style atomic neighbor 0.3 bin neigh_modify delay 5 #create geometry lattice diamond 3.65 Lattice spacing in x,y,z = 3.65 3.65 3.65 region box block 0 10 0 10 0 10 create_box 2 box Created orthogonal box = (0 0 0) to (36.5 36.5 36.5) 1 by 1 by 1 MPI processor grid mass 1 55.85 mass 2 12.0 #atom region region lo-fixed block INF INF INF 1.1 INF INF region lo-slab block INF INF INF 7 INF INF region above-lo block INF INF INF 7 INF INF side out region hi-fixed block INF INF 1.1 INF INF INF region hi-slab block INF INF 7 INF INF INF region blow-hi block INF INF 7 INF INF INF side out #create 2 surfaces with asperities create_atoms 1 region lo-slab Created 5800 atoms create_atoms 1 region hi-slab Created 2600 atoms #potential parameters pair_style reax/c NULL pair_coeff * * ffield.reax.Fe_O_C_H Fe C fix 1 all qeq/reax 1 0.0 10.0 1.0e-6 reax/c #define groups group lo region lo-slab 6000 atoms in group lo group lo type 1 8400 atoms in group lo group hi region hi-slab 2800 atoms in group hi group hi type 2 2800 atoms in group hi group lo-fixed region lo-fixed 1000 atoms in group lo-fixed group hi-fixed region hi-fixed 7400 atoms in group hi-fixed group boundary union lo-fixed hi-fixed 8400 atoms in group boundary group mobile subtract all boundary 0 atoms in group mobile set group lo-fixed type 1 1000 settings made for type set group hi-fixed type 2 7400 settings made for type #initial velocities velocity hi set 1.0 0.0 0.0 sum yes #fix fix 2 all nve fix 3 boundary setforce 0.0 0.0 0.0 fix 4 boundary temp/rescale 200 0.0 0.0 0.02 1.0 #run timestep 0.0025 thermo 1000 dump 1 all xyz 10 dump.xyz #ump 2 all atom 500 dump.friction #dump 1 all image.*.jpg type zoom 1.6 1 pad 5 #dump_modify 1 pad 5 run 20000 ERROR: Pair reax/c requires atom attribute q (../pair_reax_c.cpp:333) |
回复此楼» 猜你喜欢
售SCI文章，我:8O.5.5.1O.54,科目全,可十急
已经有4人回复
-
售SCI一区T0P文章，我:8.O.55.1.O54,科目全,可伽急
已经有4人回复
-
售SCI一区文章，我:8.O.55.1.O.54,科目齐全,可伽急
已经有4人回复
-
售SCI一区T0P文章，我:8.O.55.1.O.54,科目齐全,可+急
已经有4人回复
-
售SCI-T0P文章，我:8O.5.5.1.O.54,科目齐全,可+急
已经有3人回复
-
售SCI文章，我:8O.5.5.1O.54,科目全,可十急
已经有3人回复
-
售一区SCI文章T0P，我:8O.551.O54,科目全,可十急
已经有3人回复
-
售SCI文章，我:8O5.5.1.O.54,科目齐全,可+急
已经有4人回复
-
售SCI文章，我:8O5.5.1.O.54,科目齐全,可+急
已经有3人回复
-
售SCI一区T0P文章，我:8.O.55.1.O54,科目全,可伽急
已经有3人回复
313838515
铁杆木虫 (正式写手)
- 应助: 2 (幼儿园)
- 金币: 7564.9
- 散金: 91
- 红花: 3
- 帖子: 937
- 在线: 433.8小时
- 虫号: 1002226
- 注册: 2010-04-21
- 性别: GG
- 专业: 凝聚态物性 II ：电子结构
2楼2014-06-09 14:03:14
逻辑思维
银虫 (小有名气)
- 应助: 0 (幼儿园)
- 金币: 758.2
- 散金: 50
- 沙发: 1
- 帖子: 202
- 在线: 47.7小时
- 虫号: 7212167
- 注册: 2017-09-21
- 性别: GG
- 专业: 物理电子学
3楼2018-07-28 16:19:13
4楼2018-11-25 09:49:11
