jump file label
jump newfile jump in.run2 runloop jump SELF runloop
This command closes the current input script file, opens the file with the specified name, and begins reading LAMMPS commands from that file. Unlike the include command, the original file is not returned to, although by using multiple jump commands it is possible to chain from file to file or back to the original file.
If the word "SELF" is used for the filename, then the current input script is re-opened and read again.
IMPORTANT NOTE: The SELF option is not guaranteed to work when the current input script is being read through stdin (standard input), e.g.
lmp_g++ < in.script
since the SELF option invokes the C-library rewind() call, which may not be supported for stdin on some systems or by some MPI implementations. This can be worked around by using the -in command-line argument, e.g.
lmp_g++ -in in.script
or by using the -var command-line argument to pass the script name as a variable to the input script. In the latter case, a variable called "fname" could be used in place of SELF, e.g.
lmp_g++ -var fname in.script < in.script
The 2nd argument to the jump command is optional. If specified, it is treated as a label and the new file is scanned (without executing commands) until the label is found, and commands are executed from that point forward. This can be used to loop over a portion of the input script, as in this example. These commands perform 10 runs, each of 10000 steps, and create 10 dump files named file.1, file.2, etc. The next command is used to exit the loop after 10 iterations. When the "a" variable has been incremented for the tenth time, it will cause the next jump command to be skipped.
variable a loop 10 label loop dump 1 all atom 100 file.$a run 10000 undump 1 next a jump in.lj loop
If the jump file argument is a variable, the jump command can be used to cause different processor partitions to run different input scripts. In this example, LAMMPS is run on 40 processors, with 4 partitions of 10 procs each. An in.file containing the example variable and jump command will cause each partition to run a different simulation.
mpirun -np 40 lmp_ibm -partition 4x10 -in in.file
variable f world script.1 script.2 script.3 script.4 jump $f
Here is an example of a double loop which uses the if and jump commands to break out of the inner loop when a condition is met, then continues iterating thru the outer loop.
label loopa variable a loop 5 label loopb variable b loop 5 print "A,B = $a,$b" run 10000 if $b > 2 then "jump in.script break" next b jump in.script loopb label break variable b delete
next a jump in.script loopa
If you jump to a file and it does not contain the specified label, LAMMPS will come to the end of the file and exit.
variable, include, label, next