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[lammps-users] ReaxFF MD simulation problem
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[lammps-users] ReaxFF MD simulation problem


From: "higuk" <higuk@...7234...>
Date: Wed, 15 Nov 2017 09:55:47 +0900

Dear All lammps users

 

Hello?

I am trying to run simulation about the reaction of alkoxysilanes using ReaxFF.

Im faced with problems during simulations.

When Im performing ReaxFF MD using attached input script, the simulation stopped without any error messages. (There are 3328 atoms in the input structure.)

However, when Im running the simulation with a 1/2 scale structure, this simulation proceeds normally.

I used lammps-10Aug15 version and 28 processes. (SMP cores)

 

How can I solve this problem?

 

Pleases Help me.

 

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