jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

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

This commit is contained in:
sjplimp 2007-03-27 15:08:10 +00:00
parent 99ca832b7c
commit 02b13d82d1
2 changed files with 32 additions and 18 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

25
doc/run.html
View File

@ -97,15 +97,22 @@ other computations between successive short LAMMPS runs).
<P>By default (pre and post = yes), LAMMPS creates neighbor lists,
computes forces, and imposes fix constraints before every run. And
after every run it gathers and prints timings statistics. If a run is
just a continuation of a previous run (and no parameters have
changed), the initial computation is not necessary; the old neighbor
list is still valid as are the forces. So if <I>pre</I> is specified as
"no" then the initial setup is skipped, except for printing
thermodynamic info. Likewise, 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.
just a continuation of a previous run (i.e. no settings are changed),
the initial computation is not necessary; the old neighbor list is
still valid as are the forces. So if <I>pre</I> is specified as "no" then
the initial setup is skipped, except for printing thermodynamic info.
</P>
<P>IMPORTANT NOTE: If your input script changes settings between 2 runs
(e.g. adds a <A HREF = "fix.html">fix</A> or <A HREF = "dump.html">dump</A> or
<A HREF = "compute.html">compute</A> or changes a <A HREF = "neigh_modify.html">neighbor</A> list
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>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

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,
computes forces, and imposes fix constraints before every run. And
after every run it gathers and prints timings statistics. If a run is
just a continuation of a previous run (and no parameters have
changed), the initial computation is not necessary; the old neighbor
list is still valid as are the forces. So if {pre} is specified as
"no" then the initial setup is skipped, except for printing
thermodynamic info. Likewise, 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.
just a continuation of a previous run (i.e. no settings are changed),
the initial computation is not necessary; the old neighbor list is
still valid as are the forces. So if {pre} is specified as "no" then
the initial setup is skipped, except for printing thermodynamic info.
IMPORTANT NOTE: If your input script changes settings between 2 runs
(e.g. adds a "fix"_fix.html or "dump"_dump.html or
"compute"_compute.html or changes a "neighbor"_neigh_modify.html list
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
command. This can be a short-hand abbreviation to avoid listing a