ERROR: Invalid compute style (../modify.cpp:982)

Submitted by amingheibi on Mon, 10/17/2016 - 18:22

Dear all.
I am new to LIGGGHTS and I want to run a code for a set of granular materials under compaction.
in compute section I have used the ''compute 7 all voronoi/atom'' and when I run the code I receive the error: invalid compute style (../modify.cpp:982).
I know that the error is for the "compute 7 all voonoi/atom". I think I have used the correct syntax for VORONOI compute, but still I get the error. Does any body know how can I solve this problem?
Compute section of my code is as follows:

#output settings, include total thermal energyg
compute 1 all erotate/sphere
compute 2 all contact/atom
compute 3 all pair/gran/local id force
compute 5 all stress/atom virial
compute 6 all stress/atom
compute 7 all voronoi/atom
variable etotal equal ke+c_1
thermo_style custom step atoms ke c_1 vol
thermo 1000
thermo_modify lost ignore norm no
compute_modify thermo_temp dynamic yes

I really appreciate any help.
Thanks to all.

aaigner's picture

aaigner | Mon, 10/17/2016 - 22:39

Hi amingheibi!

Did you compile LIGGGHTS with VORONOI support? (link)

Best wishes

amingheibi | Thu, 10/20/2016 - 19:00

Yes, I installed the VORONOI and compiled the code again, but it still does not work.
the error is Invalid compute style and maybe it is not because of installation of VORONOI
Does any body knows how can I fix this problem??
Thanks all

aaigner's picture

aaigner | Mon, 11/14/2016 - 10:13

A simple way to check if it was compiled is by having a look into the style_* file (in the src directory).

In your case "compute_voronoi_atom.h" has to be listed in the "style_compute.h" file. | Mon, 07/27/2020 - 10:00

I checked the style_compute.h file in the src directory. The "compute_voronoi_atom.h" is not there. What should I do? I complied the VORO++ package as below. Could you please help me check where did I go wrong during the compiling?

download Version 0.4.6, released 10/17/2013 (voro++-0.4.6.tar.gz)
extract to LIGGGHTS
cd voro++-0.4.6
sudo make install
nano ~/.bashrc
add “export PATH=$PATH:/usr/local/bin” to the end of the .bashrc file
source ~/.bashrc
make auto