Lammps users,
I have been using a thermo_style custom command for some simulations on all of my work computers and everything runs fine. However, I had it installed on a local supercomputer that runs SUSE, as opposed to my preferred choice, Ubuntu. Because SUSE was used, a different executable was created called lmp_openmpi.
However, when I try to run a simulation with this thermo style command:
thermo_style custom time temp v_lx v_ly v_lz pxx pyy pzz vol density
I found that (by process of elimination),
that the only 2 keywords that are now considered invalid are “time” and “density”
Does anyone know what could cause these keywords to cause an “Invalid keyword in thermo_style custom command” error? I suspect lammps was built with an old repository or something, that was prior to the addition of these commands. However, I am not an expert in this, and hence I am asking you guys.
Thanks,
Ben
Lammps users,
I have been using a thermo_style custom command for some simulations on all
of my work computers and everything runs fine. However, I had it installed
on a local supercomputer that runs SUSE, as opposed to my preferred choice,
Ubuntu. Because SUSE was used, a different executable was created called
lmp_openmpi.
However, when I try to run a simulation with this thermo style command:
thermo_style custom time temp v_lx v_ly v_lz pxx pyy pzz vol density
I found that (by process of elimination),
that the only 2 keywords that are now considered invalid are "time" and
"density"
Does anyone know what could cause these keywords to cause an "Invalid
keyword in thermo_style custom command" error? I suspect lammps was built
with an old repository or something, that was prior to the addition of these
commands. However, I am not an expert in this, and hence I am asking you
guys.
whether this is an old version of LAMMPS is *trivial* to determine.
just look at the &^%&\#%# output!
if it is complain to the people running that machine or build an
executable yourself.
there is no significant difference in functionality as far as LAMMPS
is concerned between ubuntu and suse. i regularly build binary on
fedora and opensuse and never experienced any problems packages may be
named and organized differently, but that is it. if there are
problems, they are likely to be generic.
axel.