peter,
are you going to post an e-mail to the mailing list in the hope that
somebody will correct your input, even for the most trivial mistakes
(like the one below)?
then be warned, that this will work only for a limited time and people
may have chosen to ignore you by the time you run into problems that
actually require help from somebody experienced.
I am getting this error when trying to run a simulation.
ERROR on proc 0: Cannot open EAM potential file ../potentials/FeCr.cdeam
(../pair_eam_alloy.cpp:130)
I am not sure what I am doing wrong and am wondering if someone could
this error message is pretty much self explanatory. also, before
posting to the list, you should check here:
http://lammps.sandia.gov/doc/Section_errors.html
LAMMPS tells you that it cannot find a file with potential data where
you said it would be. how can you be unsure what the problem is? where
*is* your potential file?
if it is a serious bother to you, to look at error messages, check the
documentation and draw your conclusions, you may want to reconsider
your field of study. if you want to do computational research, you
need to be able to deal with the logic of computer programs and accept
that you cannot just blindly cut-n-paste from the documentation
without thinking. you don't need to consult with a math expert on how
to do long-division, do you? you just look it up, right? well, this is
the same kind of issue.
some more comments:
help. This is my code.
dimension 3
boundary p p p
lattice fcc 40 orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
are you sure about this lattice command? a lattice parameter of 40
seems extremely unlikely.
region box block 0 4 0 4 0 4
create_box 1 box
create_atoms 1 box
pair_style eam/cd
pair_coeff * * ../potentials/FeCr.cdeam Fe Cr
this potential file requires "metal" units. however, there is no
"units" definition at all in your input, which implies reduced units
("units lj") which is *definitely* not what you want.
timestep ${dt}
thermo $d
there are two variables here, but no definition of them. this is an error, too.
Thank you for your help,
next time, please make a better effort to resolve trivial issues
thanks for your cooperation,
axel.