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change to RCB cuts in load-balancing commands, also a new option for fix halt

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This commit is contained in:
Steve Plimpton
2017-03-10 15:55:07 -07:00
parent 470353e320
commit f871ecdc67
15 changed files with 686 additions and 51 deletions
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57
src/fix_halt.cpp
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@ -30,9 +30,10 @@
using namespace LAMMPS_NS;
using namespace FixConst;
enum{BONDMAX,VARIABLE};
enum{BONDMAX,TLIMIT,VARIABLE};
enum{LT,LE,GT,GE,EQ,NEQ,XOR};
enum{HARD,SOFT,CONTINUE};
enum{NOMSG,YESMSG};
/* ---------------------------------------------------------------------- */
@ -47,7 +48,8 @@ FixHalt::FixHalt(LAMMPS *lmp, int narg, char **arg) :
idvar = NULL;
if (strcmp(arg[4],"bondmax") == 0) attribute = BONDMAX;
if (strcmp(arg[4],"tlimit") == 0) attribute = TLIMIT;
else if (strcmp(arg[4],"bondmax") == 0) attribute = BONDMAX;
else if (strncmp(arg[4],"v_",2) == 0) {
attribute = VARIABLE;
int n = strlen(arg[4]);
@ -73,6 +75,7 @@ FixHalt::FixHalt(LAMMPS *lmp, int narg, char **arg) :
// parse optional args
eflag = SOFT;
msgflag = YESMSG;
int iarg = 7;
while (iarg < narg) {
@ -83,6 +86,12 @@ FixHalt::FixHalt(LAMMPS *lmp, int narg, char **arg) :
else if (strcmp(arg[iarg+1],"continue") == 0) eflag = CONTINUE;
else error->all(FLERR,"Illegal fix halt command");
iarg += 2;
} else if (strcmp(arg[iarg],"message") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix halt command");
if (strcmp(arg[iarg+1],"no") == 0) msgflag = NOMSG;
else if (strcmp(arg[iarg+1],"yes") == 0) msgflag = YESMSG;
else error->all(FLERR,"Illegal fix halt command");
iarg += 2;
} else error->all(FLERR,"Illegal fix halt command");
}
@ -125,6 +134,11 @@ void FixHalt::init()
if (input->variable->equalstyle(ivar) == 0)
error->all(FLERR,"Fix halt variable is not equal-style variable");
}
// settings used by TLIMIT
nextstep = (update->ntimestep/nevery)*nevery + nevery;
tratio = 0.5;
}
/* ---------------------------------------------------------------------- */
@ -135,8 +149,12 @@ void FixHalt::end_of_step()
double attvalue;
if (attribute == BONDMAX) attvalue = bondmax();
else {
if (attribute == TLIMIT) {
if (update->ntimestep != nextstep) return;
attvalue = tlimit();
} else if (attribute == BONDMAX) {
attvalue = bondmax();
} else {
modify->clearstep_compute();
attvalue = input->variable->compute_equal(ivar);
modify->addstep_compute(update->ntimestep + nevery);
@ -169,9 +187,10 @@ void FixHalt::end_of_step()
sprintf(str,"Fix halt %s condition met on step %ld with value %g",
id,update->ntimestep,attvalue);
if (eflag == HARD) error->all(FLERR,str);
else if (eflag == SOFT || eflag == CONTINUE) {
if (comm->me == 0) error->message(FLERR,str);
if (eflag == HARD) {
error->all(FLERR,str);
} else if (eflag == SOFT || eflag == CONTINUE) {
if (comm->me == 0 && msgflag == YESMSG) error->message(FLERR,str);
timer->force_timeout();
}
}
@ -218,3 +237,27 @@ double FixHalt::bondmax()
return sqrt(maxall);
}
/* ----------------------------------------------------------------------
compute synced elapsed time
reset nextstep = estimate of timestep when run will end
first project to 1/2 the run time, thereafter to end of run
------------------------------------------------------------------------- */
double FixHalt::tlimit()
{
double cpu = timer->elapsed(Timer::TOTAL);
MPI_Bcast(&cpu,1,MPI_DOUBLE,0,world);
if (cpu < value) {
bigint elapsed = update->ntimestep - update->firststep;
bigint final = update->firststep +
static_cast<bigint> (tratio*value/cpu * elapsed);
nextstep = (final/nevery)*nevery + nevery;
tratio = 1.0;
}
//printf("EVAL %ld %g %d\n",update->ntimestep,cpu,nevery);
return cpu;
}