forked from lijiext/lammps
97 lines
3.0 KiB
Plaintext
97 lines
3.0 KiB
Plaintext
"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
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:link(lws,http://lammps.sandia.gov)
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:link(ld,Manual.html)
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:link(lc,Section_commands.html#comm)
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:line
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next command :h3
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[Syntax:]
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next variables :pre
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variables = one or more variable names :ul
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[Examples:]
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next x
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next a t x myTemp :pre
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[Description:]
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This command is used with variables defined by the
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"variable"_variable.html command. It assigns the next value to the
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variable from the variable's list, so that when a variable is
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subsequently substituted for in an input script command, the new value
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is used. If a variable name is a single lower-case character from "a"
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to "z", it can be used in an input script command as $a or $z. If it
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is multiple letters, it can be used as ${myTemp}.
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All variables in a single next command must be the same style:
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{index}, {loop}, {universe}, or {uloop}. {Equal}- or {world}-style
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variables cannot be incremented by a next command.
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When any of the variables in the next command has no more values, a
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flag is set that causes the input script to skip the next
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"jump"_jump.html command encountered. This enables a loop containing
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a next command to exit.
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When the next command is used with {index}- or {loop}-style variables,
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the next value is assigned to the variable for all processors. When
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the next command is used with {universe}- or {uloop}-style variables,
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the next value is assigned to whichever processor partition executes
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the command first. All processors in the partition are assigned the
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same value. Running LAMMPS on multiple partitions of processors via
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the "-partition" command-line switch is described in "this
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section"_Section_start.html#2_6 of the manual. {Universe}- and
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{uloop}-style variables are incremented using the files
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"tmp.lammps.variable" and "tmp.lammps.variable.lock" which you will
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see in your directory during such a LAMMPS run.
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Here is an example of running a series of simulations using the next
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command with an {index}-style variable. If this input script is named
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in.polymer, 8 simulations would be run using data files from
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directories run1 thru run8.
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variable d index run1 run2 run3 run4 run5 run6 run7 run8
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shell cd $d
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read_data data.polymer
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run 10000
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shell cd ..
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clear
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next d
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jump in.polymer :pre
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If the variable "d" were of style {universe}, and the same in.polymer
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input script were run on 3 partitions of processors, then the first 3
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simulations would begin, one on each set of processors. Whichever
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partition finished first, it would assign variable "d" the 4th value
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and run another simulation, and so forth until all 8 simulations were
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finished.
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Jump and next commands can also be nested to enable multi-level loops.
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For example, this script will run 15 simulations in a double loop.
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variable i loop 3
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variable j loop 5
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clear
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...
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read_data data.polymer.$i$j
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print Running simulation $i.$j
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run 10000
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next j
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jump in.script
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next i
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jump in.script
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[Restrictions:] none
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[Related commands:]
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"jump"_jump.html, "include"_include.html, "shell"_shell.html,
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"variable"_variable.html,
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[Default:] none
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