[gpumd] Problem using stillinger weber potential which have 4-elements.

  • From: "소순성" <soonsung2001@xxxxxxxxxx>
  • To: <gpumd@xxxxxxxxxxxxx>
  • Date: Mon, 23 Nov 2020 16:12:37 +0900

Hi, I'm. Soonsung So,
and Thank you for nice GPUMD tool, always~!

Today, I have a question from the problem I met.

I want to calculate InSe monolayer using Stillinger-Weber potential
so, I prepared the sw_1985 type potential in GPUMD from the reference by Jiang, 
J. W. & Zhou, Y. P.
(Parameterization of Stillinger–Weber Potential for Two-Dimensional Atomic 
Crystal)

From that reference, I got the potential file written in LAMMPS format and 
switched it for GPUMD format (the potential file is for has 4 elements).
However, It doesn't work although I tested several times. (But the potential 
file in LAMMPS format works in LAMMPS package.)

How can I solve it?
(I attatched my files)


 

Attachment: inse.sw
Description: Binary data

Attachment: inse_gpu.sw
Description: Binary data

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