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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8252 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-06-11 14:33:27 +00:00
parent 7af11af8fc
commit 4c82784286
1 changed files with 9 additions and 9 deletions
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18
src/output.cpp
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@ -168,7 +168,7 @@ void Output::setup(int memflag)
bigint ntimestep = update->ntimestep;
// perform dump at start of run only if:
// current timestep is multiple of every and last dump not on this step
// current timestep is multiple of every and last dump not >= this step
// this is first run after dump created and firstflag is set
// note that variable freq will not write unless triggered by firstflag
// set next_dump to multiple of every or variable value
@ -186,7 +186,7 @@ void Output::setup(int memflag)
modify->clearstep_compute();
writeflag = 0;
if (every_dump[idump] && ntimestep % every_dump[idump] == 0 &&
last_dump[idump] != ntimestep) writeflag = 1;
last_dump[idump] < ntimestep) writeflag = 1;
if (last_dump[idump] < 0 && dump[idump]->first_flag == 1) writeflag = 1;
if (writeflag) {
@ -295,7 +295,7 @@ void Output::write(bigint ntimestep)
if (lmp->cuda && !lmp->cuda->oncpu) lmp->cuda->downloadAll();
for (int idump = 0; idump < ndump; idump++) {
if (next_dump[idump] == ntimestep && last_dump[idump] != ntimestep) {
if (next_dump[idump] == ntimestep && last_dump[idump] < ntimestep) {
if (dump[idump]->clearstep || every_dump[idump] == 0)
modify->clearstep_compute();
dump[idump]->write();
@ -437,7 +437,7 @@ void Output::write_restart(bigint ntimestep)
reset next timestep values for dumps, restart, thermo output
reset to smallest value >= new timestep
if next timestep set by varaible evaluation,
eval for ntimestep-1, so current ntimestep can be returned
eval for ntimestep-1, so current ntimestep can be returned if needed
no guarantee that variable can be evaluated for ntimestep-1
if it depends on computes, but live with that rare case for now
------------------------------------------------------------------------- */
@ -453,7 +453,7 @@ void Output::reset_timestep(bigint ntimestep)
update->ntimestep--;
bigint nextdump = static_cast<bigint>
(input->variable->compute_equal(ivar_dump[idump]));
if (nextdump <= ntimestep)
if (nextdump < ntimestep)
error->all(FLERR,"Dump every variable returned a bad timestep");
update->ntimestep++;
next_dump[idump] = nextdump;
@ -474,7 +474,7 @@ void Output::reset_timestep(bigint ntimestep)
update->ntimestep--;
bigint nextrestart = static_cast<bigint>
(input->variable->compute_equal(ivar_restart_single));
if (nextrestart <= ntimestep)
if (nextrestart < ntimestep)
error->all(FLERR,"Restart variable returned a bad timestep");
update->ntimestep++;
next_restart_single = nextrestart;
@ -493,7 +493,7 @@ void Output::reset_timestep(bigint ntimestep)
update->ntimestep--;
bigint nextrestart = static_cast<bigint>
(input->variable->compute_equal(ivar_restart_double));
if (nextrestart <= ntimestep)
if (nextrestart < ntimestep)
error->all(FLERR,"Restart variable returned a bad timestep");
update->ntimestep++;
next_restart_double = nextrestart;
@ -513,11 +513,11 @@ void Output::reset_timestep(bigint ntimestep)
update->ntimestep++;
next_thermo = MIN(next_thermo,update->laststep);
modify->addstep_compute(next_thermo);
} else {
} else if (thermo_every) {
next_thermo = (ntimestep/thermo_every)*thermo_every;
if (next_thermo < ntimestep) next_thermo += thermo_every;
next_thermo = MIN(next_thermo,update->laststep);
}
} else next_thermo = update->laststep;
next = MIN(next_dump_any,next_restart);
next = MIN(next,next_thermo);