From cb182476df022ada2fec1eb812c660b45868ee41 Mon Sep 17 00:00:00 2001
From: sjplimp 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,
@@ -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 run for info on how to invoke a series
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. 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 +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 doc page, computes can calculate global, diff --git a/doc/thermo_style.txt b/doc/thermo_style.txt index c21c764778..5c5818ccec 100644 --- a/doc/thermo_style.txt +++ b/doc/thermo_style.txt @@ -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,