各位前辈好,我使用的是 Makefile.mkl。设置完后 在 src 目录下 make clean-all,接着 make mkl
然后就会出现
compute_voronoi_atom.cpp(31): catastrophic error: cannot open source file "voro++.hh"
#include "voro++.hh"
^
compilation aborted for compute_voronoi_atom.cpp (code 4)
make: *** Error 4
make: Leaving directory `/home/hu/mnt/lmp/src/Obj_mkl'
make: *** Error 2