Dear All,
I am trying to use .adp potential file for Nb-Zr systems but am its showing an error message.
I have pasted some part of the code below:
region box block 0 10 0 10 0 10 units box
create_box 2 box
lattice bcc 3.30
region Nb block 0 10 0 10 0 10 units box
create_atoms 1 region Nb
timestep 0.002
pair_style adp
pair_coeff * * Zr_Nb.adp Zr Nb
The program showed an error message:
timestep 0.002
pair_style adp
pair_coeff * * Zr_Nb.adp Zr Nb
ERROR on proc 0: Cannot open ADP potential file Zr_Nb.adp (…/pair_adp.cpp:555)
I am using Windows 7, 64-bit operating system.
The error message is telling you the problem. Where is the file
and is it readable?
Steve
Sir,
I have downloaded it from: http://www.ctcms.nist.gov/potentials/
I have downloaded the Nb-Zr file: http://www.ctcms.nist.gov/potentials/Nb.html#Zr-Nb
I have also alltached the .adp file.
Can you pease suggest how to run .adp potential file using LAMMPS?
Zr_Nb.adp.txt (256 KB)
Sir,
I have downloaded it from: *http://www.ctcms.nist.gov/potentials/
<http://www.ctcms.nist.gov/potentials/>*
I have downloaded the Nb-Zr file: *http://www.ctcms.nist.gov/potentials/Nb.html#Zr-Nb
<http://www.ctcms.nist.gov/potentials/Nb.html#Zr-Nb>*
I have also alltached the .adp file.
Can you pease suggest how to run .adp potential file using LAMMPS?
the problem seems to be with the *file name*.
keep in mind that under windows by default known file name extensions like
.txt do not show up. but LAMMPS, as a regular console program doesn't know
about those windows GUI specific things and will look for the full file
name, and will not find it in case of a "chopped" extension. if LAMMPS
tells you, it cannot find the file, then the problem is on your side and
not on LAMMPS' side.
axel.