[lammps-users] Illegal units command

I am new to LAMMPS and have been trying to write a simple code for determining the melting point of Silicon, to familiarize myself with the syntax. I initially used the units as metal and then real and both times I get the error as ‘Illegal units command’. What I am trying to do is increase the temperature from 1100K to 1800K and am guessing that at the melting point the KE will stay the same while the total energy will increase, indicating the melting point. I have attached the input script.

Besides this I am not really sure if I completely understand the syntax for the ‘region’ command. What are the 6 numbers that I need to write for a block. Does the way I have written [region box block 0 10 0 10 0 10] mean that it is a 10x10x10 cube.

Thanks,
Mihir.

in.SiliconMP.txt (523 Bytes)

I am new to LAMMPS and have been trying to write a simple code for
determining the melting point of Silicon, to familiarize myself with
the syntax. I initially used the units as metal and then real and both
times I get the error as 'Illegal units command'. What I am trying to
do is increase the temperature from 1100K to 1800K and am guessing
that at the melting point the KE will stay the same while the total
energy will increase, indicating the melting point. I have attached
the input script.

mihir,
you get the illegal units command, because your
text file is actually not proper 7-bit ASCII text.
several characters that show up as blank characters
are not (in fortran notation) char(32) but rather char(160).
this confuses the input file parser. it has nothing
to do with the choice of units.

cheers,
   axel.

Mihir,

this might be caused by the text editor you used to create your input file,
or maybe by the file encoding. Line feeds are usually represented by the
byte "0a", but in your file there is an additional "a0" in front of it,
which stands for a non-breaking space. Removing this extra byte fixes the
error you describe (see attachment).

Hope this helps,

  Lutz

in.SiliconMP.txt (466 Bytes)