Hi all.
I've downloaded the Voro++ package and installed it, but I still get the following error while using compute voronoi/atom:
ERROR: Invalid compute style (../modify.cpp:982)
I've followed the steps mentioned in the documentation while installing it, but I'm not sure what the following steps mean:
- to access the Voro++ header files, code compilation should include
the flag '-I/usr/local/include/voro++'.
- to link to the static library, code compilation should include the
flags '-L/usr/local/lib' to tell the linker where to look, and then
'-lvoro++' to link to the library. "
I entered the following command during compilation of liggghts :
make serial -I /usr/local/include/voro++ -L /usr/local/lib -l voro++
Have I done it right?
Any help is much appreciated!
ckloss | Tue, 12/22/2015 - 19:58
You will have to install
You will have to install package VORONOI to make it work!
Happy holidays,
Christoph
Joel Martis | Tue, 01/05/2016 - 07:33
Thanks! Still some error
Firstly, thanks for the suggestion. I typed the following to enable voronoi
make yes-voronoi
make g++
make[1]: Entering directory `/home/joel/Documents/liggghts/src/Obj_g++'
g++ -g -O -DLAMMPS_GZIP -DLAMMPS_JPEG -DMPICH_SKIP_MPICXX -DFFT_FFTW -I/usr/local/include/voro++ -c ../angle.cpp
In file included from ../angle.h:50:0,
from ../angle.cpp:47:
../pointers.h:63:17: fatal error: mpi.h: No such file or directory
#include "mpi.h"
^
compilation terminated.
make[1]: *** [angle.o] Error 1
make[1]: Leaving directory `/home/joel/Documents/liggghts/src/Obj_g++'
make: *** [g++] Error 2
Please help!
Joel Martis | Thu, 01/07/2016 - 05:17
Solved!
Making LIGGGHTS with MPI solved the problem!