Dear All users
I am using thermo_extract code, when I run it, It start to read my log file but after a long time, It
does not finish, I do not have any outputs, I kill its running, What is its output? A plot or a file that
include alot of numbers? Does It use xmgrace program or not?
Dear All users
I am using thermo_extract code, when I run it, It start to read my log file
but after a long time, It
this program is contributed software and hasn't been updated in almost
6 years while the LAMMPS console/logfile output format has been
adjusted in places that may confuse a simple parser. you may need to
debug and adjust it. please send in and necessary changes.
does not finish, I do not have any outputs, I kill its running, What is its
output? A plot or a file that include alot of numbers?
from a cursory look, the second.
Does It use xmgrace program or not?
no. why? does it say so anywhere?
axel.
Dear Dr.Kohlmeyer
Thank you for your reply,
I want to represent temp vs time, You say, I can do this by post-processing program, and I have to do this
by hand? Is there any program to do ?
Dear Dr.Kohlmeyer
Thank you for your reply,
I want to represent temp vs time, You say, I can do this by post-processing
program,
yes, for a lot of tasks - simple and complex - simply running the
simulations is not enough; the resulting data needs to be processed
and analyzed. that is the nature of the business. better get used to
it.
and I have to do this by hand?
no. doing this by hand would be stupid. computers are so much better
at such tedious tasks.
Is there any program to do ?
well, you already found one; only that it apparently needs a little
updating to work with the current version of LAMMPS. there is likely
something equivalent in the pizza.py toolkit that steve maintains, but
writing a smaller script/program to extract this kind of information
from a log file is a trivial exercise and if you don't have the
sufficient programming skills, you better make an effort and pick them
up ASAP, or else you'll likely be helpless to do anything for which no
"canned" solution exists. having to write or adapt the proper,
problem-specific tools is a ubiquitous task.
axel.