git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4168 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2010-05-20 17:15:00 +00:00
parent 2629df5790
commit cb182476df
2 changed files with 36 additions and 4 deletions

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@ -22,7 +22,7 @@
<PRE> <I>one</I> args = none
<I>multi</I> args = none
<I>custom</I> args = list of attributes
possible attributes = step, elapsed, elaplong, dt, cpu,
possible attributes = step, elapsed, elaplong, dt, cpu, tpcpu, spcpu,
atoms, temp, press, pe, ke, etotal, enthalpy,
evdwl, ecoul, epair, ebond, eangle, edihed, eimp,
emol, elong, etail,
@ -36,7 +36,9 @@
elapsed = timesteps since start of this run
elaplong = timesteps since start of initial run in a series of runs
dt = timestep size
cpu = elapsed CPU time
cpu = elapsed CPU time in seconds
tpcpu = time per CPU second
spcpu = timesteps per CPU second
atoms = # of atoms
temp = temperature
press = pressure
@ -205,6 +207,20 @@ keywords for the <A HREF = "run.html">run</A> for info on how to invoke a series
runs that keep track of an initial starting time. If these keywords
are not used, then <I>elapsed</I> and <I>elaplong</I> are the same value.
</P>
<P>The <I>cpu</I> keyword is elapsed CPU seconds since the beginning of this
run. The <I>tpcpu</I> and <I>spcpu</I> keywords are measures of how fast your
simulation is currently running. The <I>tpcpu</I> keyword is simulation
time per CPU second, where simulation time is in time
<A HREF = "units.html">units</A>. E.g. for metal units, the <I>tpcpu</I> value would be
picoseconds per CPU second. The <I>spcpu</I> keyword is the number of
timesteps per CPU second. Both quantities are on-the-fly metrics,
measured relative to the last time they were invoked. Thus if you are
printing out thermodyamic output every 100 timesteps, the two keywords
will continually output the time and timestep rate for the last 100
steps. The <I>tpcpu</I> keyword does not attempt to track any changes in
timestep size, e.g. due to using the <A HREF = "fix_dt_reset.html">fix dt/reset</A>
command.
</P>
<P>The <I>c_ID</I> and <I>c_ID[I]</I> and <I>c_ID[I][J]</I> keywords allow global
values calculated by a compute to be output. As discussed on the
<A HREF = "compute.html">compute</A> doc page, computes can calculate global,

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@ -17,7 +17,7 @@ args = list of arguments for a particular style :l
{one} args = none
{multi} args = none
{custom} args = list of attributes
possible attributes = step, elapsed, elaplong, dt, cpu,
possible attributes = step, elapsed, elaplong, dt, cpu, tpcpu, spcpu,
atoms, temp, press, pe, ke, etotal, enthalpy,
evdwl, ecoul, epair, ebond, eangle, edihed, eimp,
emol, elong, etail,
@ -31,7 +31,9 @@ args = list of arguments for a particular style :l
elapsed = timesteps since start of this run
elaplong = timesteps since start of initial run in a series of runs
dt = timestep size
cpu = elapsed CPU time
cpu = elapsed CPU time in seconds
tpcpu = time per CPU second
spcpu = timesteps per CPU second
atoms = # of atoms
temp = temperature
press = pressure
@ -199,6 +201,20 @@ keywords for the "run"_run.html for info on how to invoke a series of
runs that keep track of an initial starting time. If these keywords
are not used, then {elapsed} and {elaplong} are the same value.
The {cpu} keyword is elapsed CPU seconds since the beginning of this
run. The {tpcpu} and {spcpu} keywords are measures of how fast your
simulation is currently running. The {tpcpu} keyword is simulation
time per CPU second, where simulation time is in time
"units"_units.html. E.g. for metal units, the {tpcpu} value would be
picoseconds per CPU second. The {spcpu} keyword is the number of
timesteps per CPU second. Both quantities are on-the-fly metrics,
measured relative to the last time they were invoked. Thus if you are
printing out thermodyamic output every 100 timesteps, the two keywords
will continually output the time and timestep rate for the last 100
steps. The {tpcpu} keyword does not attempt to track any changes in
timestep size, e.g. due to using the "fix dt/reset"_fix_dt_reset.html
command.
The {c_ID} and {c_ID\[I\]} and {c_ID\[I\]\[J\]} keywords allow global
values calculated by a compute to be output. As discussed on the
"compute"_compute.html doc page, computes can calculate global,