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【求助】meam编译问题 已有1人参与
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请教大家一个meam编译问题,我的系统是在windows下的虚拟ubuntu9.10，lammps版本是LAMMPS 21 Jan 2010（官网下载的) 过程如下： 在安装完lammps ，在STUBS下生成lmpi.a，在src下生成了lmp_serial。 在/lib/meam下make –f Makefile.gfortran 后，meam文件夹下生成libmeam.a 修改src/make下的make.serial,参考论坛，对这个文件的修改就一个地方，就在那个添加额外库的地方，其他地方都未修改，修改如下（见红字）： # additional system libraries needed by LAMMPS package libraries （Lammps提供的额外系统库） # these settings are IGNORED if the corresponding LAMMPS package #(e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB =-lcudart meam_SYSLIB =-lmeam -lpthread –lgfortran reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB =-lblas -llapack gpu_SYSPATH =-L/usr/local/cuda/lib64 meam_SYSPATH =-L/home/administrastor/lammps-21Jan10/lib/meam reax_SYSPATH =-L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = 保存 接着在src目录下make yes-meam 结果如下： administrator@ubuntu:~/lammps-21Jan10/src$ make yes-meam Installing package meam 接着在src目录下make package-status 结果如下： administrator@ubuntu:~/lammps-21Jan10/src$ make package-status Installed YES: package ASPHERE Installed YES: package CLASS2 Installed YES: package COLLOID Installed YES: package DIPOLE Installed YES: package DSMC Installed NO: package GPU Installed YES: package GRANULAR Installed YES: package KSPACE Installed YES: package MANYBODY Installed YES: package MEAM Installed YES: package MOLECULE Installed YES: package OPT Installed YES: package PERI Installed NO: package POEMS Installed YES: package PRD Installed NO: package REAX Installed YES: package XTC Installed YES: package USER-ACKLAND Installed NO: package USER-ATC Installed YES: package USER-CD-EAM Installed YES: package USER-CG-CMM Installed YES: package USER-EWALDN Installed YES: package USER-IMD Installed YES: package USER-SMD administrator@ubuntu:~/lammps-21Jan10/src$ make yes-poems Installing package poems administrator@ubuntu:~/lammps-21Jan10/src$ make package-status Installed YES: package ASPHERE Installed YES: package CLASS2 Installed YES: package COLLOID Installed YES: package DIPOLE Installed YES: package DSMC Installed NO: package GPU Installed YES: package GRANULAR Installed YES: package KSPACE Installed YES: package MANYBODY Installed YES: package MEAM Installed YES: package MOLECULE Installed YES: package OPT Installed YES: package PERI Installed YES: package POEMS Installed YES: package PRD Installed NO: package REAX Installed YES: package XTC Installed YES: package USER-ACKLAND Installed NO: package USER-ATC Installed YES: package USER-CD-EAM Installed YES: package USER-CG-CMM Installed YES: package USER-EWALDN Installed YES: package USER-IMD 接着 make serial 结果如下： administrator@ubuntu:~/lammps-21Jan10/src$ make serial `diff style_angle.h style_angle.tmp`: Ambiguous. make: *** [serial] 错误 1 接着运行in.meam例子，结果如下： administrator@ubuntu:~/lammps-21Jan10/src$ cd ../examples/meam administrator@ubuntu:~/lammps-21Jan10/examples/meam$ ~/lammps-21Jan10/src/lmp_serial < in.meam LAMMPS (15 Jan 2010) Reading data file ... orthogonal box = (-6 -6 -6) to (5.97232 5.97232 5.97232) 1 by 1 by 1 processor grid 128 atoms ERROR: Invalid pair style 请问为何是Invalid pair style，以上怎么改？请求帮助！！！ |
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2楼2010-04-16 09:14:05
