git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12134 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
@ -1356,13 +1356,13 @@ sub-directory (-pscreen replica_files/screen). If this option is not
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used the screen file for partition N is screen.N or whatever is
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specified by the -screen command-line option.
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</P>
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<PRE>-restart restartfile datafile keyword value ...
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<PRE>-restart restartfile <I>remap</I> datafile keyword value ...
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</PRE>
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<P>Convert the restart file into a data file and immediately exit. This
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is the same operation as if the following 2-line input script were
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run:
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</P>
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<PRE>read_restart restartfile
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<PRE>read_restart restartfile <I>remap</I>
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write_data datafile keyword value ...
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</PRE>
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<P>Note that the specified restartfile and datafile can have wild-card
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@ -1371,6 +1371,13 @@ characters ("*",%") as described by the
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commands. But a filename such as file.* will need to be enclosed in
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quotes to avoid shell expansion of the "*" character.
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</P>
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<P>Note that following restartfile, the optional flag <I>remap</I> can be
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used. This has the same effect as adding it to the
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<A HREF = "read_restart.html">read_restart</A> command, as explained on its doc
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page. This is only useful if the reading of the restart file triggers
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an error that atoms have been lost. In that case, use of the remap
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flag should allow the data file to still be produced.
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</P>
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<P>Also note that following datafile, the same optional keyword/value
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pairs can be listed as used by the <A HREF = "write_data.html">write_data</A>
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command.
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@ -1350,13 +1350,13 @@ sub-directory (-pscreen replica_files/screen). If this option is not
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used the screen file for partition N is screen.N or whatever is
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specified by the -screen command-line option.
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-restart restartfile datafile keyword value ... :pre
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-restart restartfile {remap} datafile keyword value ... :pre
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Convert the restart file into a data file and immediately exit. This
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is the same operation as if the following 2-line input script were
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run:
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read_restart restartfile
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read_restart restartfile {remap}
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write_data datafile keyword value ... :pre
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Note that the specified restartfile and datafile can have wild-card
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@ -1365,6 +1365,13 @@ characters ("*",%") as described by the
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commands. But a filename such as file.* will need to be enclosed in
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quotes to avoid shell expansion of the "*" character.
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Note that following restartfile, the optional flag {remap} can be
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used. This has the same effect as adding it to the
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"read_restart"_read_restart.html command, as explained on its doc
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page. This is only useful if the reading of the restart file triggers
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an error that atoms have been lost. In that case, use of the remap
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flag should allow the data file to still be produced.
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Also note that following datafile, the same optional keyword/value
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pairs can be listed as used by the "write_data"_write_data.html
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command.
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@ -13,16 +13,19 @@
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</H3>
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<P><B>Syntax:</B>
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</P>
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<PRE>read_restart file
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<PRE>read_restart file flag
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</PRE>
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<UL><LI>file = name of binary restart file to read in
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</UL>
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<P>flag = remap (optional)
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</P>
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<P><B>Examples:</B>
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</P>
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<PRE>read_restart save.10000
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read_restart save.10000 remap
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read_restart restart.*
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read_restart restart.*.mpiio
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read_restart poly.*.%
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read_restart poly.*.% remap
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</PRE>
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<PRE>
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</PRE>
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@ -40,6 +43,17 @@ number of processors in the current simulation and the settings of the
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changed by the <A HREF = "balance.html">balance</A> or <A HREF = "fix_balance.html">fix
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balance</A> commands.
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</P>
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<P>IMPORTANT NOTE: Normally, restart files are written by the
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<A HREF = "restart.html">restart</A> or <A HREF = "write_restart.html">write_restart</A> commands
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so that all atoms in the restart file are inside the simulation box.
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If this is not the case, the read_restart command will print an error
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that atoms were "lost" when the file is read. This error should be
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reported to the LAMMPS developers so the invalid writing of the
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restart file can be fixed. If you still wish to use the restart file,
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the optional <I>remap</I> flag can be appended to the read_restart command.
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This will avoid the error, by explicitly remapping each atom back into
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the simulation box, updating image flags for the atom appropriately.
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</P>
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<P>Restart files are saved in binary format to enable exact restarts,
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meaning that the trajectories of a restarted run will precisely match
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those produced by the original run had it continued on.
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@ -10,16 +10,18 @@ read_restart command :h3
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[Syntax:]
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read_restart file :pre
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read_restart file flag :pre
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file = name of binary restart file to read in :ul
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flag = remap (optional)
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[Examples:]
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read_restart save.10000
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read_restart save.10000 remap
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read_restart restart.*
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read_restart restart.*.mpiio
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read_restart poly.*.% :pre
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read_restart poly.*.% remap :pre
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:pre
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@ -37,6 +39,17 @@ number of processors in the current simulation and the settings of the
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changed by the "balance"_balance.html or "fix
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balance"_fix_balance.html commands.
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IMPORTANT NOTE: Normally, restart files are written by the
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"restart"_restart.html or "write_restart"_write_restart.html commands
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so that all atoms in the restart file are inside the simulation box.
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If this is not the case, the read_restart command will print an error
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that atoms were "lost" when the file is read. This error should be
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reported to the LAMMPS developers so the invalid writing of the
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restart file can be fixed. If you still wish to use the restart file,
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the optional {remap} flag can be appended to the read_restart command.
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This will avoid the error, by explicitly remapping each atom back into
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the simulation box, updating image flags for the atom appropriately.
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Restart files are saved in binary format to enable exact restarts,
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meaning that the trajectories of a restarted run will precisely match
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those produced by the original run had it continued on.
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