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Re: [lammps-users] dump independent files with running multiple simulations
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Re: [lammps-users] dump independent files with running multiple simulations


From: "Chowdhury, Sanjib Chandra" <sanjib@...2437...>
Date: Sun, 5 Nov 2017 03:11:33 +0000

Using ‘’label loop’ command you can run several ‘run 100’ without writing 100 ‘run 100’ command lines. In the loop, use some variable in the dump file name to have different dump file for each run.

 

HTH,

Sanjib

 

From: liyi bai [mailto:liyibai2011@...24...]
Sent: Saturday, November 04, 2017 10:28 PM
To: lammps-users@lists.sourceforge.net
Subject: [lammps-users] dump independent files with running multiple simulations

 

Hello,Users

 

If I run multiple simulations from one input file,here"multiple simulations"means a continue a previous simulation for more timesteps. My partial input as follow.I am wondering how I can save various dump files for each run.Further,is there any more efficient ways to set up multiple run instead of typing 100 "run 100" if I want to run 100 simulations continue a previous simulation.

 

"partial input"

 

dump         2  all  custom 2  dump.2ns_4dt id type x y z vx vy vz

                        

dum_modify   2   sort id

 

run              4000

run              4000

run              4000

run              4000

run              4000

run              4000

run              4000

run              4000

run              4000

run              4000

 

Best Regards

 

Liyi Bai