Difficulty in using .adp potentials

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.