git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12134 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2014-06-14 21:36:31 +00:00
parent 75a456247d
commit 1ad73fec90
4 changed files with 49 additions and 8 deletions

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@ -1356,13 +1356,13 @@ sub-directory (-pscreen replica_files/screen). If this option is not
used the screen file for partition N is screen.N or whatever is
specified by the -screen command-line option.
</P>
<PRE>-restart restartfile datafile keyword value ...
<PRE>-restart restartfile <I>remap</I> datafile keyword value ...
</PRE>
<P>Convert the restart file into a data file and immediately exit. This
is the same operation as if the following 2-line input script were
run:
</P>
<PRE>read_restart restartfile
<PRE>read_restart restartfile <I>remap</I>
write_data datafile keyword value ...
</PRE>
<P>Note that the specified restartfile and datafile can have wild-card
@ -1371,6 +1371,13 @@ characters ("*",%") as described by the
commands. But a filename such as file.* will need to be enclosed in
quotes to avoid shell expansion of the "*" character.
</P>
<P>Note that following restartfile, the optional flag <I>remap</I> can be
used. This has the same effect as adding it to the
<A HREF = "read_restart.html">read_restart</A> command, as explained on its doc
page. This is only useful if the reading of the restart file triggers
an error that atoms have been lost. In that case, use of the remap
flag should allow the data file to still be produced.
</P>
<P>Also note that following datafile, the same optional keyword/value
pairs can be listed as used by the <A HREF = "write_data.html">write_data</A>
command.

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@ -1350,13 +1350,13 @@ sub-directory (-pscreen replica_files/screen). If this option is not
used the screen file for partition N is screen.N or whatever is
specified by the -screen command-line option.
-restart restartfile datafile keyword value ... :pre
-restart restartfile {remap} datafile keyword value ... :pre
Convert the restart file into a data file and immediately exit. This
is the same operation as if the following 2-line input script were
run:
read_restart restartfile
read_restart restartfile {remap}
write_data datafile keyword value ... :pre
Note that the specified restartfile and datafile can have wild-card
@ -1365,6 +1365,13 @@ characters ("*",%") as described by the
commands. But a filename such as file.* will need to be enclosed in
quotes to avoid shell expansion of the "*" character.
Note that following restartfile, the optional flag {remap} can be
used. This has the same effect as adding it to the
"read_restart"_read_restart.html command, as explained on its doc
page. This is only useful if the reading of the restart file triggers
an error that atoms have been lost. In that case, use of the remap
flag should allow the data file to still be produced.
Also note that following datafile, the same optional keyword/value
pairs can be listed as used by the "write_data"_write_data.html
command.

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@ -13,16 +13,19 @@
</H3>
<P><B>Syntax:</B>
</P>
<PRE>read_restart file
<PRE>read_restart file flag
</PRE>
<UL><LI>file = name of binary restart file to read in
</UL>
<P>flag = remap (optional)
</P>
<P><B>Examples:</B>
</P>
<PRE>read_restart save.10000
read_restart save.10000 remap
read_restart restart.*
read_restart restart.*.mpiio
read_restart poly.*.%
read_restart poly.*.% remap
</PRE>
<PRE>
</PRE>
@ -40,6 +43,17 @@ number of processors in the current simulation and the settings of the
changed by the <A HREF = "balance.html">balance</A> or <A HREF = "fix_balance.html">fix
balance</A> commands.
</P>
<P>IMPORTANT NOTE: Normally, restart files are written by the
<A HREF = "restart.html">restart</A> or <A HREF = "write_restart.html">write_restart</A> commands
so that all atoms in the restart file are inside the simulation box.
If this is not the case, the read_restart command will print an error
that atoms were "lost" when the file is read. This error should be
reported to the LAMMPS developers so the invalid writing of the
restart file can be fixed. If you still wish to use the restart file,
the optional <I>remap</I> flag can be appended to the read_restart command.
This will avoid the error, by explicitly remapping each atom back into
the simulation box, updating image flags for the atom appropriately.
</P>
<P>Restart files are saved in binary format to enable exact restarts,
meaning that the trajectories of a restarted run will precisely match
those produced by the original run had it continued on.

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@ -10,16 +10,18 @@ read_restart command :h3
[Syntax:]
read_restart file :pre
read_restart file flag :pre
file = name of binary restart file to read in :ul
flag = remap (optional)
[Examples:]
read_restart save.10000
read_restart save.10000 remap
read_restart restart.*
read_restart restart.*.mpiio
read_restart poly.*.% :pre
read_restart poly.*.% remap :pre
:pre
@ -37,6 +39,17 @@ number of processors in the current simulation and the settings of the
changed by the "balance"_balance.html or "fix
balance"_fix_balance.html commands.
IMPORTANT NOTE: Normally, restart files are written by the
"restart"_restart.html or "write_restart"_write_restart.html commands
so that all atoms in the restart file are inside the simulation box.
If this is not the case, the read_restart command will print an error
that atoms were "lost" when the file is read. This error should be
reported to the LAMMPS developers so the invalid writing of the
restart file can be fixed. If you still wish to use the restart file,
the optional {remap} flag can be appended to the read_restart command.
This will avoid the error, by explicitly remapping each atom back into
the simulation box, updating image flags for the atom appropriately.
Restart files are saved in binary format to enable exact restarts,
meaning that the trajectories of a restarted run will precisely match
those produced by the original run had it continued on.