There has been discussion on this topic before, but it didn’t get completed somehow.I am facing it again , so thought of writing.
I have access to 2 linux cluster systems. I have successfully installed lammps 6 Dec 08 version on both and also compiled both with lmp_serial. When I use minimize command with 4 inputs like 1.0e-4 1.0e-18 100 1000 it seems to be working fine on lonestar cluster, but on the other cluster system ,it says illegal minimize command, but works fine if I drop ftol. I checked minimize.cpp of both and both have same content like:
if (narg != 4) error->all(“Illegal minimize command”);
if (domain->box_exist == 0)
error->all(“Minimize command before simulation box is defined”);
update->etol = atof(arg);
update->ftol = atof(arg);
update->nsteps = atoi(arg);
update->max_eval = atoi(arg);
if (update->etol < 0.0 || update->ftol < 0.0)
error->all(“Illegal minimize command”);
So I wonder if there’s something incompatible from cluster 2 side?