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@ -22,7 +22,7 @@
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<PRE> <I>one</I> args = none
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<PRE> <I>one</I> args = none
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<I>multi</I> args = none
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<I>multi</I> args = none
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<I>custom</I> args = list of attributes
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<I>custom</I> args = list of attributes
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possible attributes = step, elapsed, elaplong, dt, cpu,
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possible attributes = step, elapsed, elaplong, dt, cpu, tpcpu, spcpu,
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atoms, temp, press, pe, ke, etotal, enthalpy,
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atoms, temp, press, pe, ke, etotal, enthalpy,
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evdwl, ecoul, epair, ebond, eangle, edihed, eimp,
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evdwl, ecoul, epair, ebond, eangle, edihed, eimp,
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emol, elong, etail,
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emol, elong, etail,
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@ -36,7 +36,9 @@
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elapsed = timesteps since start of this run
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elapsed = timesteps since start of this run
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elaplong = timesteps since start of initial run in a series of runs
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elaplong = timesteps since start of initial run in a series of runs
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dt = timestep size
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dt = timestep size
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cpu = elapsed CPU time
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cpu = elapsed CPU time in seconds
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tpcpu = time per CPU second
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spcpu = timesteps per CPU second
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atoms = # of atoms
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atoms = # of atoms
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temp = temperature
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temp = temperature
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press = pressure
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press = pressure
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@ -205,6 +207,20 @@ keywords for the <A HREF = "run.html">run</A> for info on how to invoke a series
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runs that keep track of an initial starting time. If these keywords
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runs that keep track of an initial starting time. If these keywords
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are not used, then <I>elapsed</I> and <I>elaplong</I> are the same value.
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are not used, then <I>elapsed</I> and <I>elaplong</I> are the same value.
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</P>
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</P>
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<P>The <I>cpu</I> keyword is elapsed CPU seconds since the beginning of this
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run. The <I>tpcpu</I> and <I>spcpu</I> keywords are measures of how fast your
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simulation is currently running. The <I>tpcpu</I> keyword is simulation
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time per CPU second, where simulation time is in time
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<A HREF = "units.html">units</A>. E.g. for metal units, the <I>tpcpu</I> value would be
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picoseconds per CPU second. The <I>spcpu</I> keyword is the number of
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timesteps per CPU second. Both quantities are on-the-fly metrics,
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measured relative to the last time they were invoked. Thus if you are
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printing out thermodyamic output every 100 timesteps, the two keywords
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will continually output the time and timestep rate for the last 100
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steps. The <I>tpcpu</I> keyword does not attempt to track any changes in
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timestep size, e.g. due to using the <A HREF = "fix_dt_reset.html">fix dt/reset</A>
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command.
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</P>
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<P>The <I>c_ID</I> and <I>c_ID[I]</I> and <I>c_ID[I][J]</I> keywords allow global
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<P>The <I>c_ID</I> and <I>c_ID[I]</I> and <I>c_ID[I][J]</I> keywords allow global
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values calculated by a compute to be output. As discussed on the
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values calculated by a compute to be output. As discussed on the
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<A HREF = "compute.html">compute</A> doc page, computes can calculate global,
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<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
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{one} args = none
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{one} args = none
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{multi} args = none
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{multi} args = none
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{custom} args = list of attributes
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{custom} args = list of attributes
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possible attributes = step, elapsed, elaplong, dt, cpu,
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possible attributes = step, elapsed, elaplong, dt, cpu, tpcpu, spcpu,
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atoms, temp, press, pe, ke, etotal, enthalpy,
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atoms, temp, press, pe, ke, etotal, enthalpy,
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evdwl, ecoul, epair, ebond, eangle, edihed, eimp,
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evdwl, ecoul, epair, ebond, eangle, edihed, eimp,
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emol, elong, etail,
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emol, elong, etail,
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@ -31,7 +31,9 @@ args = list of arguments for a particular style :l
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elapsed = timesteps since start of this run
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elapsed = timesteps since start of this run
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elaplong = timesteps since start of initial run in a series of runs
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elaplong = timesteps since start of initial run in a series of runs
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dt = timestep size
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dt = timestep size
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cpu = elapsed CPU time
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cpu = elapsed CPU time in seconds
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tpcpu = time per CPU second
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spcpu = timesteps per CPU second
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atoms = # of atoms
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atoms = # of atoms
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temp = temperature
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temp = temperature
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press = pressure
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press = pressure
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@ -199,6 +201,20 @@ keywords for the "run"_run.html for info on how to invoke a series of
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runs that keep track of an initial starting time. If these keywords
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runs that keep track of an initial starting time. If these keywords
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are not used, then {elapsed} and {elaplong} are the same value.
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are not used, then {elapsed} and {elaplong} are the same value.
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The {cpu} keyword is elapsed CPU seconds since the beginning of this
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run. The {tpcpu} and {spcpu} keywords are measures of how fast your
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simulation is currently running. The {tpcpu} keyword is simulation
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time per CPU second, where simulation time is in time
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"units"_units.html. E.g. for metal units, the {tpcpu} value would be
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picoseconds per CPU second. The {spcpu} keyword is the number of
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timesteps per CPU second. Both quantities are on-the-fly metrics,
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measured relative to the last time they were invoked. Thus if you are
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printing out thermodyamic output every 100 timesteps, the two keywords
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will continually output the time and timestep rate for the last 100
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steps. The {tpcpu} keyword does not attempt to track any changes in
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timestep size, e.g. due to using the "fix dt/reset"_fix_dt_reset.html
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command.
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The {c_ID} and {c_ID\[I\]} and {c_ID\[I\]\[J\]} keywords allow global
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The {c_ID} and {c_ID\[I\]} and {c_ID\[I\]\[J\]} keywords allow global
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values calculated by a compute to be output. As discussed on the
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values calculated by a compute to be output. As discussed on the
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"compute"_compute.html doc page, computes can calculate global,
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"compute"_compute.html doc page, computes can calculate global,
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