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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@442 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2007-03-27 15:08:10 +00:00
parent 99ca832b7c
commit 02b13d82d1
2 changed files with 32 additions and 18 deletions
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25
doc/run.html
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@ -97,15 +97,22 @@ other computations between successive short LAMMPS runs).
<P>By default (pre and post = yes), LAMMPS creates neighbor lists, <P>By default (pre and post = yes), LAMMPS creates neighbor lists,
computes forces, and imposes fix constraints before every run. And computes forces, and imposes fix constraints before every run. And
after every run it gathers and prints timings statistics. If a run is after every run it gathers and prints timings statistics. If a run is
just a continuation of a previous run (and no parameters have just a continuation of a previous run (i.e. no settings are changed),
changed), the initial computation is not necessary; the old neighbor the initial computation is not necessary; the old neighbor list is
list is still valid as are the forces. So if <I>pre</I> is specified as still valid as are the forces. So if <I>pre</I> is specified as "no" then
"no" then the initial setup is skipped, except for printing the initial setup is skipped, except for printing thermodynamic info.
thermodynamic info. Likewise, if <I>post</I> is specified as "no", the </P>
full timing summary is skipped; only a one-line summary timing is <P>IMPORTANT NOTE: If your input script changes settings between 2 runs
printed. Note that if <I>pre</I> is set to "no" for the 1st run LAMMPS (e.g. adds a <A HREF = "fix.html">fix</A> or <A HREF = "dump.html">dump</A> or
performs, then it is overridden, since the initial setup computations <A HREF = "compute.html">compute</A> or changes a <A HREF = "neigh_modify.html">neighbor</A> list
must be done. parameter), then the initial setup must be performed. LAMMPS does not
check for this, but it would be an error to use the <I>pre</I> option in
this case.
</P>
<P>If <I>post</I> is specified as "no", the full timing summary is skipped;
only a one-line summary timing is printed. Note that if <I>pre</I> is set
to "no" for the 1st run LAMMPS performs, then it is overridden, since
the initial setup computations must be done.
</P> </P>
<P>The <I>every</I> option provides a means of interleaving LAMMPS runs with a <P>The <I>every</I> option provides a means of interleaving LAMMPS runs with a
command. This can be a short-hand abbreviation to avoid listing a command. This can be a short-hand abbreviation to avoid listing a

25
doc/run.txt
View File

@ -90,15 +90,22 @@ other computations between successive short LAMMPS runs).
By default (pre and post = yes), LAMMPS creates neighbor lists, By default (pre and post = yes), LAMMPS creates neighbor lists,
computes forces, and imposes fix constraints before every run. And computes forces, and imposes fix constraints before every run. And
after every run it gathers and prints timings statistics. If a run is after every run it gathers and prints timings statistics. If a run is
just a continuation of a previous run (and no parameters have just a continuation of a previous run (i.e. no settings are changed),
changed), the initial computation is not necessary; the old neighbor the initial computation is not necessary; the old neighbor list is
list is still valid as are the forces. So if {pre} is specified as still valid as are the forces. So if {pre} is specified as "no" then
"no" then the initial setup is skipped, except for printing the initial setup is skipped, except for printing thermodynamic info.
thermodynamic info. Likewise, if {post} is specified as "no", the
full timing summary is skipped; only a one-line summary timing is IMPORTANT NOTE: If your input script changes settings between 2 runs
printed. Note that if {pre} is set to "no" for the 1st run LAMMPS (e.g. adds a "fix"_fix.html or "dump"_dump.html or
performs, then it is overridden, since the initial setup computations "compute"_compute.html or changes a "neighbor"_neigh_modify.html list
must be done. parameter), then the initial setup must be performed. LAMMPS does not
check for this, but it would be an error to use the {pre} option in
this case.
If {post} is specified as "no", the full timing summary is skipped;
only a one-line summary timing is printed. Note that if {pre} is set
to "no" for the 1st run LAMMPS performs, then it is overridden, since
the initial setup computations must be done.
The {every} option provides a means of interleaving LAMMPS runs with a The {every} option provides a means of interleaving LAMMPS runs with a
command. This can be a short-hand abbreviation to avoid listing a command. This can be a short-hand abbreviation to avoid listing a