I was trying to run ELASTIC_T code present in LAMMPS github page for calculating elastic constants and got this error.should i have to update version of LAMMPS or something? This is the part of code:
// Born compute giving <C^b> terms
// The six virial stress component to compute <C^fl>
compute VIR all pressure NULL virial
compute born all born/matrix numdiff 1.0e-6 VIR
variable s1 equal “-c_VIR[1]*v_at2Pa”
variable s2 equal “-c_VIR[2]*v_at2Pa”
variable s3 equal “-c_VIR[3]*v_at2Pa”
variable s6 equal “-c_VIR[4]*v_at2Pa”
variable s5 equal “-c_VIR[5]*v_at2Pa”
variable s4 equal “-c_VIR[6]*v_at2Pa”
variable press equal press
// are commented lines
I’m getting the same error, even after installing the package. also, I integrated with lammps by running command: make mpi? where am I doing wrong? should I try uninstall and reinstall lammps?
please check before running lmp_mpi that you have the correct executable. When running the executable with just the -h option added it should output a help message and a bunch of configuration options and the list of included styles. Make sure the EXTRA-COMPUTE package is mentioned and the compute born/matrix command listed under included compute styles.
If not, you are either not using the correct executable or have not correctly compiled LAMMPS after installing the package.