计算化学公社

 找回密码 Forget password
 注册 Register
Views: 11919|回复 Reply: 3
打印 Print 上一主题 Last thread 下一主题 Next thread

[Lammps] 运行lammps例子in.shear出错

[复制链接 Copy URL]

56

帖子

0

威望

3015

eV
积分
3071

Level 5 (御坂)

那位老师帮忙看一下,不胜感激。安装完lammps,运行其自带例子in.shear,出错,结果:
LAMMPS (3 Mar 2020)
Lattice spacing in x,y,z = 3.52 3.52 3.52
Created orthogonal box = (0 0 0) to (56.32 35.2 9.95606)
  3 by 1 by 1 MPI processor grid
Lattice spacing in x,y,z = 3.52 4.97803 4.97803
Created 1912 atoms
  create_atoms CPU = 0.000338134 secs
ERROR: Unrecognized pair style 'eam' is part of the MANYBODY package which is not enabled in this LAMMPS binary. (../force.cpp:285)
Last command: pair_style        eam
--------------------------------------------------------------------------
Primary job  terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:


  Process name: [[36343,1],0]
  Exit code:    1


已经使用make ps看过,MANYBODY已经安装。上网查过,都是Unknown pair style 'eam' 报的错,而我是Unrecognized pair style 'eam' 。

4

帖子

0

威望

706

eV
积分
710

Level 4 (黑子)

2#
发表于 Post on 2020-12-2 13:39:07 | 只看该作者 Only view this author
您好,请问这个问题解决了吗?

433

帖子

8

威望

4317

eV
积分
4910

Level 6 (一方通行)

石墨

3#
发表于 Post on 2020-12-4 19:32:39 | 只看该作者 Only view this author
ERROR: Unrecognized pair style 'eam' is part of the MANYBODY package which is not enabled in this LAMMPS binary.


字面意思,这是因为你没有正确安装MANYBODY包导致的。
LAMMPS很多功能是由额外的包提供的,如这里提到的原子对形式eam。如果你没有编译这些包,或者所下载的安装好的二进制文件没编译这些包,就不能使用这些功能。详见LAMMPS手册install and build相关内容。
自在飞花轻似梦,无边丝雨细如愁。

全自动反应动力学(ReaxFF、AIMD、NEP等)后处理工具网页版:http://cc-portal.xyz/reax_tools

4

帖子

0

威望

115

eV
积分
119

Level 2 能力者

4#
发表于 Post on 2022-8-9 10:30:33 | 只看该作者 Only view this author
可以清空编译环境然后重新编译

本版积分规则 Credits rule

手机版 Mobile version|北京科音自然科学研究中心 Beijing Kein Research Center for Natural Sciences|京公网安备 11010502035419号|计算化学公社 — 北京科音旗下高水平计算化学交流论坛 ( 京ICP备14038949号-1 )|网站地图

GMT+8, 2026-2-24 09:09 , Processed in 0.196694 second(s), 26 queries , Gzip On.

快速回复 返回顶部 返回列表 Return to list