ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

must use addstep_compute() on next time based or variable step dump output

Browse Source
This commit is contained in:
Axel Kohlmeyer
2025-03-27 23:50:37 -04:00
parent 8949a6262d
commit 0263774595
1 changed files with 6 additions and 1 deletions
Download Patch File Download Diff File Expand all files Collapse all files

7
src/output.cpp
View File

@ -374,6 +374,7 @@ void Output::write(bigint ntimestep)
// can't remove an uneeded addstep from a compute, b/c don't know // can't remove an uneeded addstep from a compute, b/c don't know
// what other command may have added it // what other command may have added it
int mode_dump_any = 0; // any variable time or clearstep dump
if (next_dump_any == ntimestep) { if (next_dump_any == ntimestep) {
next_dump_any = next_time_dump_any = MAXBIGINT; next_dump_any = next_time_dump_any = MAXBIGINT;
@ -397,11 +398,15 @@ void Output::write(bigint ntimestep)
modify->addstep_compute(next_dump[idump]); modify->addstep_compute(next_dump[idump]);
} }
if (mode_dump[idump] && (dump[idump]->clearstep || var_dump[idump])) if (mode_dump[idump] && (dump[idump]->clearstep || var_dump[idump])) {
mode_dump_any = 1;
next_time_dump_any = MIN(next_time_dump_any,next_dump[idump]); next_time_dump_any = MIN(next_time_dump_any,next_dump[idump]);
}
next_dump_any = MIN(next_dump_any,next_dump[idump]); next_dump_any = MIN(next_dump_any,next_dump[idump]);
} }
} }
// trigger computes for any time based or variable step dumps
if (mode_dump_any) modify->addstep_compute(next_time_dump_any);
// next_restart does not force output on last step of run // next_restart does not force output on last step of run
// for toggle = 0, replace "*" with current timestep in restart filename // for toggle = 0, replace "*" with current timestep in restart filename