git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3261 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-10-30 18:26:17 +00:00
parent a2a7fd006c
commit 53000e9966
2 changed files with 20 additions and 16 deletions

View File

@ -84,12 +84,12 @@ run is as follows:
until (event occurs on some replica): until (event occurs on some replica):
run dynamics for t_event steps run dynamics for t_event steps
quench quench
check for event on any replica check for uncorrelated event on any replica
while (correlated event occurs): until (no correlated event occurs):
run dynamics for t_correlate steps run dynamics for t_correlate steps
quench quench
check for event on this replica check for correlated event on this replica
share post-correlation state with all replicas event replica shares state with all replicas
</PRE> </PRE>
<P>Before this loop begins, the state of the system on replica 0 is <P>Before this loop begins, the state of the system on replica 0 is
quenched (an energy minimization, see below) and the resulting quenched (an energy minimization, see below) and the resulting
@ -136,9 +136,9 @@ If so, an "event" has occurred.
<P>In the third stage, the replica on which the event occurred continues <P>In the third stage, the replica on which the event occurred continues
to run dynamics to search for correlated events. This is done by to run dynamics to search for correlated events. This is done by
running dynamics for <I>t_correlate</I> steps, quenching, and checking if running dynamics for <I>t_correlate</I> steps, quenching, and checking if
another event has occurred. The first time no such event occurs, the another event has occurred. The first time no correlated event
final state of the system is shared with all replicas, and the outer occurs, the final state of the system is shared with all replicas, and
loop begins again. the outer loop begins again.
</P> </P>
<HR> <HR>
@ -240,9 +240,11 @@ However, it is assumed that <I>t_correlate</I> in the new PRD command is
the same as it was previously. If not, the calculation of the "clock" the same as it was previously. If not, the calculation of the "clock"
value for the first event in the new run will be slightly off. value for the first event in the new run will be slightly off.
</P> </P>
<HR>
<P><B>Restrictions:</B> <P><B>Restrictions:</B>
</P> </P>
<P>The <I>N</I> and <I>t_correlate</I> settings must be integer multiples of <P><I>N</I> and <I>t_correlate</I> settings must be integer multiples of
<I>t_event</I>. <I>t_event</I>.
</P> </P>
<P>Runs restarted from restart file written during a PRD run will not <P>Runs restarted from restart file written during a PRD run will not

View File

@ -71,12 +71,12 @@ while (time remains):
until (event occurs on some replica): until (event occurs on some replica):
run dynamics for t_event steps run dynamics for t_event steps
quench quench
check for event on any replica check for uncorrelated event on any replica
while (correlated event occurs): until (no correlated event occurs):
run dynamics for t_correlate steps run dynamics for t_correlate steps
quench quench
check for event on this replica check for correlated event on this replica
share post-correlation state with all replicas :pre event replica shares state with all replicas :pre
Before this loop begins, the state of the system on replica 0 is Before this loop begins, the state of the system on replica 0 is
quenched (an energy minimization, see below) and the resulting quenched (an energy minimization, see below) and the resulting
@ -123,9 +123,9 @@ If so, an "event" has occurred.
In the third stage, the replica on which the event occurred continues In the third stage, the replica on which the event occurred continues
to run dynamics to search for correlated events. This is done by to run dynamics to search for correlated events. This is done by
running dynamics for {t_correlate} steps, quenching, and checking if running dynamics for {t_correlate} steps, quenching, and checking if
another event has occurred. The first time no such event occurs, the another event has occurred. The first time no correlated event
final state of the system is shared with all replicas, and the outer occurs, the final state of the system is shared with all replicas, and
loop begins again. the outer loop begins again.
:line :line
@ -227,9 +227,11 @@ However, it is assumed that {t_correlate} in the new PRD command is
the same as it was previously. If not, the calculation of the "clock" the same as it was previously. If not, the calculation of the "clock"
value for the first event in the new run will be slightly off. value for the first event in the new run will be slightly off.
:line
[Restrictions:] [Restrictions:]
The {N} and {t_correlate} settings must be integer multiples of {N} and {t_correlate} settings must be integer multiples of
{t_event}. {t_event}.
Runs restarted from restart file written during a PRD run will not Runs restarted from restart file written during a PRD run will not