Here I am explaining about the things one needs to know just
to run the input file with varying the star data file and strain rate.
To run the lammps input file: (FOR WINDOWS)
1.
Put the input file (i.e. in.sp.0.002.mp) inside
a folder. Remember the input file name will always start with “in.” . You can
put whatever name you want after that. I tried to use the strain rate value to
remember the strain rate value I used inside.
2.
Copy the star data file and paste inside the
same folder.
3.
Copy the lammps executable (lmp_serial) and
paste into the same folder with input file.
4.
Copy the libOpenCL.dll file and paste it to the
same folder location.
5.
Now open the “Run” command
6.
Type “cmd” and hit “enter”
7.
A command prompt will pop up
8.
Navigate to the folder where you have pasted all
the above files
9.
Then type lmp_serial<input_file_name (ie.
Lmp_serial<in.sp.0.002.mp) and hit “Enter”. The simulation will start
running.
(To run in LINUX/Mac):
1.
Same procedure. (except it does not need the .dll
file)
2.
In the command prompt after navigating to the
desired folder instead of typing lmp_serial<input_file name you just have to
type ./lmp_serial<input_file_name. Here you have to create your executable
by yourself and you could name it as you like. (I named the executable same as
the Windows for remembering easily).
“DONE”
The input file has two things to change that would cause
different different output.
1.
Star file name
2.
Strain rate values
STAR FILE NAME
The star data file is generated by Python script and it
contains the coordinates of star particles.
The input file Line number 10 (link attached) has command :
read_data data.star fix molprop
NULL Molecules
here data.star is the star data file and the same named star data file
should be present in the same folder with input file. I you want to change the
name of star data file you have to change in both place (in folder and inside
the input file).
STRAIN RATE VALUES
In the line number 118 has the fllowing command:
variable srate1 equal 0.002
the value 0.002 is the strain rate. (I used this value to
name input file, remember !)
https://drive.google.com/file/d/1xNu5pZfmT_G8MrzPWFIGuErbAqmthZxP/view?usp=sharing
