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Tweaked event output

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5572 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
athomps
2011-01-22 01:04:38 +00:00
parent 270bc5fdcb
commit 9ab13c62a5
2 changed files with 57 additions and 42 deletions
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97
src/REPLICA/tad.cpp
View File

@ -225,9 +225,13 @@ void TAD::command(int narg, char **arg)
if (me_universe == 0) {
if (universe->uscreen)
fprintf(universe->uscreen,"Step CPU Clock Event\n");
fprintf(universe->uscreen,
"Step CPU N M Status Barrier Margin Clock\n"
);
if (universe->ulogfile)
fprintf(universe->ulogfile,"Step CPU Clock Event\n");
fprintf(universe->ulogfile,
"Step CPU N M Status Barrier Margin Clock\n"
);
}
ulogfile_lammps = universe->ulogfile;
@ -249,7 +253,7 @@ void TAD::command(int narg, char **arg)
timer->barrier_start(TIME_LOOP);
time_start = timer->array[TIME_LOOP];
fix_event->store_event_tad(update->ntimestep);
log_event();
log_event(0);
fix_event->restore_state();
// do full init/setup
@ -518,22 +522,29 @@ int TAD::check_event()
universe proc 0 prints event info
------------------------------------------------------------------------- */
void TAD::log_event()
void TAD::log_event(int ievent)
{
timer->array[TIME_LOOP] = time_start;
if (universe->me == 0) {
double tfrac = 0.0;
if (universe->uscreen)
fprintf(universe->uscreen,BIGINT_FORMAT " %.3f %.3f %d\n",
fix_event->event_timestep,
fprintf(universe->uscreen,
BIGINT_FORMAT " %.3f %d %d %s %.3f %.3f %.3f\n",
fix_event->event_timestep,
timer->elapsed(TIME_LOOP),
fix_event->tlo,
fix_event->event_number);
fix_event->event_number,ievent,
"E ",
fix_event->ebarrier,tfrac,
fix_event->tlo);
if (universe->ulogfile)
fprintf(universe->ulogfile,BIGINT_FORMAT " %.3f %.3f %d\n",
fix_event->event_timestep,
fprintf(universe->ulogfile,
BIGINT_FORMAT " %.3f %d %d %s %.3f %.3f %.3f\n",
fix_event->event_timestep,ievent,
timer->elapsed(TIME_LOOP),
fix_event->tlo,
fix_event->event_number);
fix_event->event_number,
"E ",
fix_event->ebarrier,tfrac,
fix_event->tlo);
}
// dump snapshot of quenched coords
@ -914,41 +925,44 @@ void TAD::compute_tlo(int ievent)
deltlo = delthi*exp(ebarrier*delta_beta);
fix_event_list[ievent]->tlo = fix_event->tlo + deltlo;
// first-replica output about each event
if (universe->me == 0) {
double tfrac = 0.0;
if (ievent > 0) tfrac = delthi/deltstop;
// char str[128];
// sprintf(str,
// "New event: ievent = %d eb = %g t_lo = %g t_hi = %g t_hi/t_stop = %g \n",
// ievent,ebarrier,deltlo,delthi,tfrac);
// error->warning(str);
if (screen)
fprintf(screen,
"New event: t_hi = " BIGINT_FORMAT " ievent = %d eb = %g "
"dt_lo = %g dt_hi/t_stop = %g \n",
fix_event_list[ievent]->event_timestep,
ievent,ebarrier,deltlo,tfrac);
if (logfile)
fprintf(logfile,
"New event: t_hi = " BIGINT_FORMAT " ievent = %d eb = %g "
"dt_lo = %g dt_hi/t_stop = %g \n",
fix_event_list[ievent]->event_timestep,
ievent,ebarrier,deltlo,tfrac);
}
// update first event
char* statstr = "D ";
if (ievent == 0) {
deltfirst = deltlo;
event_first = ievent;
statstr = "DF";
} else if (deltlo < deltfirst) {
deltfirst = deltlo;
event_first = ievent;
statstr = "DF";
}
// first-replica output about each event
timer->array[TIME_LOOP] = time_start;
if (universe->me == 0) {
double tfrac = 0.0;
if (ievent > 0) tfrac = delthi/deltstop;
if (universe->uscreen)
fprintf(universe->uscreen,
BIGINT_FORMAT " %.3f %d %d %s %.3f %.3f %.3f\n",
fix_event_list[ievent]->event_timestep,
timer->elapsed(TIME_LOOP),
fix_event->event_number,
ievent,statstr,ebarrier,tfrac,
fix_event_list[ievent]->tlo);
if (universe->ulogfile)
fprintf(universe->ulogfile,
BIGINT_FORMAT " %.3f %d %d %s %.3f %.3f %.3f\n",
fix_event_list[ievent]->event_timestep,
timer->elapsed(TIME_LOOP),
fix_event->event_number,
ievent,statstr,ebarrier,tfrac,
fix_event_list[ievent]->tlo);
}
}
@ -964,8 +978,9 @@ void TAD::perform_event(int ievent)
update->ntimestep = fix_event_list[ievent]->event_timestep;
// Copy event to current event
// Should really use copy constructor for this
fix_event->tlo = fix_event_list[ievent]->tlo;
fix_event->ebarrier = fix_event_list[ievent]->ebarrier;
fix_event->event_number++;
fix_event->event_timestep = update->ntimestep;
fix_event_list[ievent]->restore_event();
@ -973,7 +988,7 @@ void TAD::perform_event(int ievent)
// output stats and dump for quenched state
log_event();
log_event(ievent);
// load and store hot state

2
src/REPLICA/tad.h
View File

@ -71,7 +71,7 @@ class TAD : protected Pointers {
int check_event();
int check_confidence();
void perform_neb(int);
void log_event();
void log_event(int);
void options(int, char **);
void revert();
void add_event();