[lammps-users] illegal minimize command


When I use minimize command without specifying ftol like minimize 1.0e-4 100 1000 it seems to be working fine in that it minimizes energy from o(e8) to o(e2) , but when I include ftol as well like

minimize 1.0e-4 1.0e-6 100 1000 or minimize 0.0001 0.00001 100 1000, it says “illegal minimize command”

Now when I checked minimize. cpp, above error is given when narg!=4, but irony is that it works when narg=3 and not when narg=4 as listed above

I don’t know what’s happening and now I doubt whether my minimizer is working fine when I don’t specify ftol as above

Any clue will be appreciated

Thanks in advance


minimize 1.0e-4 100 1000

This command throws an error in the current (fully patched) version of LAMMPS.
It's an old syntax.

If you think you are running the most current version, then add this line at the
beginning of minimize.cpp

  printf("MIN NARG = %d\n",narg);
  if (narg != 4) error->all("Illegal minimize command");

and let me know what it prints out.