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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
2 changed files with 106 additions and 36 deletions
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71
doc/restart.html
View File

@ -18,6 +18,7 @@ restart N root
restart N file1 file2
</PRE>
<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>file1,file2 = two full filenames, toggle between them when writing file
</UL>
@ -26,25 +27,36 @@ restart N file1 file2
<PRE>restart 0
restart 1000 poly.restart
restart 1000 restart.*.equil
restart 10000 poly.%.1 poly.%.2
restart 10000 poly.%.1 poly.%.2
restart v_mystep poly.restart
</PRE>
<P><B>Description:</B>
</P>
<P>Write out a binary restart file every so many timesteps as a run
proceeds. A value of 0 means do not write out restart files. Using
one filename as an argument will create a series of filenames which
include the timestep in the filename. Using two filenames will
produce only 2 restart files. LAMMPS will toggle between the 2 names
as it writes successive restart files.
<P>Write out a binary restart file every so many timesteps, in either or
both of two modes, as a run proceeds. A value of 0 means do not write
out any restart files. The two modes are as follows. If one filename
is specified, a series of filenames will be created which include the
timestep in the filename. If two filenames are specified, only 2
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>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
replaced with the current timestep value. This is only recognized
when a single filename is used (not when toggling back and forth).
Thus, the 3rd example above creates restart files as follows:
restart.1000.equil, 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,
two wild-card characters.
</P>
<P>If a "*" appears in the single filename, it is replaced with the
current timestep value. This is only recognized when a single
filename is used (not when toggling back and forth). Thus, the 3rd
example above creates restart files as follows: restart.1000.equil,
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.
</P>
<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.
</P>
<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 written on the last 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.
not on the first timestep of a run or minimization. You can use the
<A HREF = "write_restart.html">write_restart</A> command to write a restart file
before a run begins. A restart file is not written on the last
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>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
what is stored in a restart file.
</P>

71
doc/restart.txt
View File

@ -15,6 +15,7 @@ restart N root
restart N file1 file2 :pre
N = write a restart file every this many timesteps
N can be a variable (see below)
root = filename to which timestep # is appended
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 1000 poly.restart
restart 1000 restart.*.equil
restart 10000 poly.%.1 poly.%.2 :pre
restart 10000 poly.%.1 poly.%.2
restart v_mystep poly.restart :pre
[Description:]
Write out a binary restart file every so many timesteps as a run
proceeds. A value of 0 means do not write out restart files. Using
one filename as an argument will create a series of filenames which
include the timestep in the filename. Using two filenames will
produce only 2 restart files. LAMMPS will toggle between the 2 names
as it writes successive restart files.
Write out a binary restart file every so many timesteps, in either or
both of two modes, as a run proceeds. A value of 0 means do not write
out any restart files. The two modes are as follows. If one filename
is specified, a series of filenames will be created which include the
timestep in the filename. If two filenames are specified, only 2
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
two wild-card characters. If a "*" appears in the filename, it is
replaced with the current timestep value. This is only recognized
when a single filename is used (not when toggling back and forth).
Thus, the 3rd example above creates restart files as follows:
restart.1000.equil, 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,
two wild-card characters.
If a "*" appears in the single filename, it is replaced with the
current timestep value. This is only recognized when a single
filename is used (not when toggling back and forth). Thus, the 3rd
example above creates restart files as follows: restart.1000.equil,
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.
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.
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 written on the last 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.
not on the first timestep of a run or minimization. You can use the
"write_restart"_write_restart.html command to write a restart file
before a run begins. A restart file is not written on the last
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
what is stored in a restart file.