Dec 24th
Hello,
Merry Christmas ! Thanks for helping me before. Now I have another question . In my simulation ,I want to use Matlab for post-processing. I want to halt my lammps simulation (in.file) and then run the Matlab file (file.m) to process the dump file.After processing the dump file,I want to run the in.file once again.What should I do? I have read the manual and I guess that I can use shell and include command.
I really appreciate for your help~
Nafens
Dec 24th
Hello,
Merry Christmas ! Thanks for helping me before. Now I have another question
. In my simulation ,I want to use Matlab for post-processing. I want to halt
my lammps simulation (in.file) and then run the Matlab file (file.m) to
process the dump file.After processing the dump file,I want to run the
in.file once again.What should I do? I have read the manual and I guess
that I can use shell and include command.
i recommend against it.
the cleaner way would be to use restart files.
i.e. after your initial lammps run, write out a
restart file with write_restart. and then generate
an input file that reads in the restart with
read_restart and continues the simulation
properly. you should first test this without
running matlab in between and once you
have managed to get it to work, just use
a shell script that alternately runs lammps
and matlab.
may i ask what kind of post processing you
want to do? matlab is a code which has a huge
overhead to get launched and run efficiently
and compared to a (parallel) lammps run will
be (mostly) serial and slow. there may be
better ways to get what you want to get out
of it.
axel.