Hello all,
I have compiled restart2data.cpp and got the executable ( in my linux box without getting any compilation error ) but when i try to convert my binary restart file to data only the number of atom,atom type and mass are saving, others information ( e.g atom coordinates ) is missing. I am using pair_style eam/alloy, during the execution of restart2data.x showing
error : Cannot write pair_style eam/alloy to input file.
Generated data file as follows:
LAMMPS data file from restart file: timestep = 20000, procs = 1
256 atoms
1 atom types
-2.9915557368667821e-02 1.6229915557368720e+01 xlo xhi
-2.9915557368667821e-02 1.6229915557368720e+01 ylo yhi
-2.9915557368667821e-02 1.6229915557368720e+01 zlo zhi
Masses
1 26.982
;;;;;;;;end of the data file;;;;;;;;;;
so for in this situation what i have to do for further simulation run using this restart file (where some changes are necessary in the restart file for the next simulation) ?
Furthermore is there any other way to redefine (i want to change the bc after one simulation run ) boundary condition, where i am using read_restart ?
To get the answer of the above question I had some trial and error method and get some result interesting to me -----------
step1. i run some simulation with bc p p p and write restart (restart)
step2. read_restart restart
boundary p p s
.
.
error : boundary condition after simulation box is defined
( I think this error is logical )
step3: boundary p p s/fs
read_restart restart
;
;
write_restart restart2
simulation going on happily. So we may suppose that this simulation is going on with bc p p s/fs i.e bc p p p have been changed to p p s/fs.
step4 : read_restart restart2 # this restart2 file contained bc p p s/fs ( is it not so? )
:
:
:
fix … wall/piston or wall/reflect …
ERROR: Cannot use fix wall/reflect in periodic dimension (fix_wall_reflect.cpp:99)
So how can i solve this issue ? Using of restart2data and read_data was a option but there also facing another problem ( described in the starting of the mail ).
Surely anything regarding this is unclear to me or i am wrong in my logic, please let me know your opinion and way me out.
thanks in advance .
Best
Selesta