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[lammps-users] Segmentation fault when using Kolmogorov/Crespi/z with REBO
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[lammps-users] Segmentation fault when using Kolmogorov/Crespi/z with REBO


From: Srilok Srinivasan <srilok@...258...>
Date: Tue, 29 Aug 2017 15:46:22 -0500

Hi, 

I am trying to energy minimize a system of few layer graphene. The interaction between the atoms is modeled as a combination of REBO potential and Kolmogorov/crespi/z. My simulations work when there are only 2 layers of graphene. 

However, when there is more than 2 layers, I am getting a segmentation fault. I checked to see if I have made any mistakes in my code. But the documentation for Kolmogorov/crespi/z was not clear on how to use it when there are multiple layers. I just want to make sure that this is not a bug within lammps

I have attached the code (in.equil) and the data file (Gr_4layer_AB.data) along with the potential file. I am using the latest stable lammps release (Aug 11 2017). 

Thanks a lot for your help. 

Regards, 


--
Srilok Srinivasan
Graduate Student
Mechanical Engineering
Iowa State University, Ames, IA

Attachment: report_error.tar.gz
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