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Re: [lammps-users] Regarding restart file and error:Per-atom energy was not tallied on needed timestep
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Re: [lammps-users] Regarding restart file and error:Per-atom energy was not tallied on needed timestep


From: Prakash Makwana <pmakwana9005@...24...>
Date: Tue, 1 May 2018 16:10:27 +0530

Sorry everyone but I resolved that issue.

 It was happening due to reset_timestep command. 

but I don't understand why it was the problem. there are also some mistakes in scripts also.

On 1 May 2018 at 15:03, Prakash Makwana <pmakwana9005@...24...> wrote:
Dear all,

LAMMPS version: 16 Mar 2018

My simulation has two stage. The first stage is working fine.I am reading the restart file of the first stage and run the second stage script.  I am getting the error like per-atom energy was not tallied on needed timestep.

I tried to debug this issue but not able to do that,

can anyone please help me with this issue.

I am attaching the script along with the potential file.