Dear users and deven errorloper
I am trying to run an input script including pair_style reax/c via mpirun , but these lines are printed in terminal.
Reading data file …
orthogonal box = (-1 -1 35) to (25 25 61)
1 by 1 by 1 MPI processor grid
1392 atoms
Lattice spacing in x,y,z = 4.97803 5.74814 6.09682
Created 1594 atoms
WARNING: unknown parameter
application called MPI_Abort(MPI_COMM_WORLD, 15) - process 0
how can i solve it?
King Regards
Impossible to say from this information. Compile a serial binary and see if you can retain more information. Your system is rather small anyway.
Axel.
It’s an error message from inside the USER-REAXC package, see reaxc_control.cpp.
Ray may have an idea, but it’s likely bad input.
Steve
This means you have something in the reax/c control file that is not
recognized, most likely due to spelling error, typo or file error.
Please have a closer look at reax/c doc page:
http://lammps.sandia.gov/doc/pair_reax_c.html, particularly the "The
format of a line in the control file is as follows:" section.
Ray