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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8089 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-05-18 16:35:25 +00:00
parent e8308edb15
commit 159e44fa8c
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69
doc/restart.html
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@ -18,6 +18,7 @@ restart N root
restart N file1 file2 restart N file1 file2
</PRE> </PRE>
<UL><LI>N = write a restart file every this many timesteps <UL><LI>N = write a restart file every this many timesteps
<LI>N can be a variable (see below)
<LI>root = filename to which timestep # is appended <LI>root = filename to which timestep # is appended
<LI>file1,file2 = two full filenames, toggle between them when writing file <LI>file1,file2 = two full filenames, toggle between them when writing file
</UL> </UL>
@ -27,24 +28,35 @@ restart N file1 file2
restart 1000 poly.restart restart 1000 poly.restart
restart 1000 restart.*.equil restart 1000 restart.*.equil
restart 10000 poly.%.1 poly.%.2 restart 10000 poly.%.1 poly.%.2
restart v_mystep poly.restart
</PRE> </PRE>
<P><B>Description:</B> <P><B>Description:</B>
</P> </P>
<P>Write out a binary restart file every so many timesteps as a run <P>Write out a binary restart file every so many timesteps, in either or
proceeds. A value of 0 means do not write out restart files. Using both of two modes, as a run proceeds. A value of 0 means do not write
one filename as an argument will create a series of filenames which out any restart files. The two modes are as follows. If one filename
include the timestep in the filename. Using two filenames will is specified, a series of filenames will be created which include the
produce only 2 restart files. LAMMPS will toggle between the 2 names timestep in the filename. If two filenames are specified, only 2
as it writes successive restart files. restart files will be created, with those names. LAMMPS will toggle
between the 2 names as it writes successive restart files.
</P>
<P>Note that you can specify the restart command twice, once with a
single filename and once with two filenames. This would allow you,
for example, to write out archival restart files every 100000 steps
using a single filenname, and more frequent temporary restart files
every 1000 steps, using two filenames. Using restart 0 will turn off
both modes of output.
</P> </P>
<P>Similar to <A HREF = "dump.html">dump</A> files, the restart filename(s) can contain <P>Similar to <A HREF = "dump.html">dump</A> files, the restart filename(s) can contain
two wild-card characters. If a "*" appears in the filename, it is two wild-card characters.
replaced with the current timestep value. This is only recognized </P>
when a single filename is used (not when toggling back and forth). <P>If a "*" appears in the single filename, it is replaced with the
Thus, the 3rd example above creates restart files as follows: current timestep value. This is only recognized when a single
restart.1000.equil, restart.2000.equil, etc. If a single filename is filename is used (not when toggling back and forth). Thus, the 3rd
used with no "*", then the timestep value is appended. E.g. the 2nd example above creates restart files as follows: restart.1000.equil,
example above creates restart files as follows: poly.restart.1000, restart.2000.equil, etc. If a single filename is used with no "*",
then the timestep value is appended. E.g. the 2nd example above
creates restart files as follows: poly.restart.1000,
poly.restart.2000, etc. poly.restart.2000, etc.
</P> </P>
<P>If a "%" character appears in the restart filename(s), then one file <P>If a "%" character appears in the restart filename(s), then one file
@ -58,11 +70,34 @@ of output and subsequent input on parallel machines that support
parallel I/O. parallel I/O.
</P> </P>
<P>Restart files are written on timesteps that are a multiple of N but <P>Restart files are written on timesteps that are a multiple of N but
not on the first timestep of a run or minimization. A restart file is not on the first timestep of a run or minimization. You can use the
not written on the last timestep of a run unless it is a multiple of <A HREF = "write_restart.html">write_restart</A> command to write a restart file
N. A restart file is written on the last timestep of a minimization before a run begins. A restart file is not written on the last
if N > 0 and the minimization converges. timestep of a run unless it is a multiple of N. A restart file is
written on the last timestep of a minimization if N > 0 and the
minimization converges.
</P> </P>
<P>Instead of a numeric value, N can be specifed as an <A HREF = "variable.html">equal-style
variable</A>, which should be specified as v_name, where
name is the variable name. In this case, the variable is evaluated at
the beginning of a run to determine the next timestep at which a
restart file will be written out. On that timestep, the variable will
be evaluated again to determine the next timestep, etc. Thus the
variable should return timestep values. See the stagger() and
logfreq() and stride() math functions for <A HREF = "variable.html">equal-style
variables</A>, as examples of useful functions to use in
this context. Other similar math functions could easily be added as
options for <A HREF = "variable.html">equal-style variables</A>.
</P>
<P>For example, the following commands will write restart files
every step from 1100 to 1200, and could be useful for debugging
a simulation where something goes wrong at step 1163:
</P>
<PRE>variable s equal stride(1100,1200,1)
restart v_s tmp.restart
</PRE>
<HR>
<P>See the <A HREF = "read_restart.html">read_restart</A> command for information about <P>See the <A HREF = "read_restart.html">read_restart</A> command for information about
what is stored in a restart file. what is stored in a restart file.
</P> </P>

71
doc/restart.txt
View File

@ -15,6 +15,7 @@ restart N root
restart N file1 file2 :pre restart N file1 file2 :pre
N = write a restart file every this many timesteps N = write a restart file every this many timesteps
N can be a variable (see below)
root = filename to which timestep # is appended root = filename to which timestep # is appended
file1,file2 = two full filenames, toggle between them when writing file :ul file1,file2 = two full filenames, toggle between them when writing file :ul
@ -23,25 +24,36 @@ file1,file2 = two full filenames, toggle between them when writing file :ul
restart 0 restart 0
restart 1000 poly.restart restart 1000 poly.restart
restart 1000 restart.*.equil restart 1000 restart.*.equil
restart 10000 poly.%.1 poly.%.2 :pre restart 10000 poly.%.1 poly.%.2
restart v_mystep poly.restart :pre
[Description:] [Description:]
Write out a binary restart file every so many timesteps as a run Write out a binary restart file every so many timesteps, in either or
proceeds. A value of 0 means do not write out restart files. Using both of two modes, as a run proceeds. A value of 0 means do not write
one filename as an argument will create a series of filenames which out any restart files. The two modes are as follows. If one filename
include the timestep in the filename. Using two filenames will is specified, a series of filenames will be created which include the
produce only 2 restart files. LAMMPS will toggle between the 2 names timestep in the filename. If two filenames are specified, only 2
as it writes successive restart files. restart files will be created, with those names. LAMMPS will toggle
between the 2 names as it writes successive restart files.
Note that you can specify the restart command twice, once with a
single filename and once with two filenames. This would allow you,
for example, to write out archival restart files every 100000 steps
using a single filenname, and more frequent temporary restart files
every 1000 steps, using two filenames. Using restart 0 will turn off
both modes of output.
Similar to "dump"_dump.html files, the restart filename(s) can contain Similar to "dump"_dump.html files, the restart filename(s) can contain
two wild-card characters. If a "*" appears in the filename, it is two wild-card characters.
replaced with the current timestep value. This is only recognized
when a single filename is used (not when toggling back and forth). If a "*" appears in the single filename, it is replaced with the
Thus, the 3rd example above creates restart files as follows: current timestep value. This is only recognized when a single
restart.1000.equil, restart.2000.equil, etc. If a single filename is filename is used (not when toggling back and forth). Thus, the 3rd
used with no "*", then the timestep value is appended. E.g. the 2nd example above creates restart files as follows: restart.1000.equil,
example above creates restart files as follows: poly.restart.1000, restart.2000.equil, etc. If a single filename is used with no "*",
then the timestep value is appended. E.g. the 2nd example above
creates restart files as follows: poly.restart.1000,
poly.restart.2000, etc. poly.restart.2000, etc.
If a "%" character appears in the restart filename(s), then one file If a "%" character appears in the restart filename(s), then one file
@ -55,10 +67,33 @@ of output and subsequent input on parallel machines that support
parallel I/O. parallel I/O.
Restart files are written on timesteps that are a multiple of N but Restart files are written on timesteps that are a multiple of N but
not on the first timestep of a run or minimization. A restart file is not on the first timestep of a run or minimization. You can use the
not written on the last timestep of a run unless it is a multiple of "write_restart"_write_restart.html command to write a restart file
N. A restart file is written on the last timestep of a minimization before a run begins. A restart file is not written on the last
if N > 0 and the minimization converges. timestep of a run unless it is a multiple of N. A restart file is
written on the last timestep of a minimization if N > 0 and the
minimization converges.
Instead of a numeric value, N can be specifed as an "equal-style
variable"_variable.html, which should be specified as v_name, where
name is the variable name. In this case, the variable is evaluated at
the beginning of a run to determine the next timestep at which a
restart file will be written out. On that timestep, the variable will
be evaluated again to determine the next timestep, etc. Thus the
variable should return timestep values. See the stagger() and
logfreq() and stride() math functions for "equal-style
variables"_variable.html, as examples of useful functions to use in
this context. Other similar math functions could easily be added as
options for "equal-style variables"_variable.html.
For example, the following commands will write restart files
every step from 1100 to 1200, and could be useful for debugging
a simulation where something goes wrong at step 1163:
variable s equal stride(1100,1200,1)
restart v_s tmp.restart :pre
:line
See the "read_restart"_read_restart.html command for information about See the "read_restart"_read_restart.html command for information about
what is stored in a restart file. what is stored in a restart file.