[lammps-users] illegal minimize


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[0]);

update->ftol = atof(arg[1]);

update->nsteps = atoi(arg[2]);

update->max_eval = atoi(arg[3]);

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?



I don't understand how the same source code could
be throwing an input error on one system but not
the other. I'd change the syntax of the output error
string to see which error is being generated and
also print out the argument values from within minimize.