Attached is the tail of log files from 3 different runs on same system. 1 Node is used to compute using 8, 4 and 1 processor respectively to check the speed 

I am running an MD simulation on lammps 30July2016 on 4000 atoms & getting a max rate of 2ns/day (which i consider very slow for this small system).

Here are the details :-

  • Timestep of 1 fs;
  • Using Makefile.mpi makefile without any changes in it (like FFT etc);
  • Running on 1 node with 8 , 4 and 1 cores (processors);
  • Using Kspace package for PME computation 
  • I need help to troubleshoot why simulation rates are slow. With just 4K atoms. Kindly let me know if you need any other information to understand the issue 

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