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Re: [lammps-users] potential problem
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Re: [lammps-users] potential problem

From: Keshab Bashyal <kbashyal@...3211...>
Date: Mon, 6 Nov 2017 11:28:47 -0600

Thank you sir!
I got it.
Many thanks. 

On Mon, Nov 6, 2017 at 11:23 AM, Axel Kohlmeyer <akohlmey@...24...> wrote:

On Mon, Nov 6, 2017 at 12:18 PM, Keshab Bashyal <kbashyal@...3211...> wrote:
Sorry sir! 
I am getting used to lammps. Sometimes I don't feel confident in explaining the problems clearly. I will not repeat such mistakes again. I am extremely sorry for any inconvenience.

​the fact that you don't feel confident is no justification to not attempt an answer and particularly does not justify to make the person you want help from to do what is essentially your task for you.​

In the data file, its explained 1 atom types. 

​now look at the documentation for pair style eam/alloy with that information in mind, and it should ​become clear what your mistake is.

The lammps version - lamps 17-Nov 2016 with Intel, openmpi and fftw3.

Thank you. 

On Mon, Nov 6, 2017 at 11:02 AM, Axel Kohlmeyer <akohlmey@...24...> wrote:

On Mon, Nov 6, 2017 at 11:58 AM, Keshab Bashyal <kbashyal@...3211...> wrote:
I am using lammpsIntel - lamps 17-Nov 2016 with Intel, openmpi and fftw3.

Attached here are the files full regarding this problems. sigma5_312.lmp is the data file and in.lammps is the input file. I have attached the potential file too. 

​rather than bombarding people with oversized uncompressed files, ​what can't you just answer *both* of my questions?



Thank you. 

Dr. Axel Kohlmeyer  akohlmey@...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.