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

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@147 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2006-11-13 16:12:58 +00:00
parent ebcbf94231
commit 458ec376dd
1 changed files with 7 additions and 7 deletions
Download Patch File Download Diff File Expand all files Collapse all files

14
src/output.cpp
View File

@ -102,8 +102,7 @@ void Output::setup(int flag)
{ {
int ntimestep = update->ntimestep; int ntimestep = update->ntimestep;
// perform dump at start of run if multiple of every // perform dump at start of run if last dump was not on this timestep
// and last dump was not on this timestep
// set next_dump to multiple of every // set next_dump to multiple of every
// will not write on last step of run unless multiple of every // will not write on last step of run unless multiple of every
// set next_dump_any to smallest next_dump // set next_dump_any to smallest next_dump
@ -111,8 +110,7 @@ void Output::setup(int flag)
if (ndump) { if (ndump) {
for (int idump = 0; idump < ndump; idump++) { for (int idump = 0; idump < ndump; idump++) {
if (ntimestep % dump_every[idump] == 0 && if (last_dump[idump] != ntimestep) {
last_dump[idump] != ntimestep) {
dump[idump]->write(); dump[idump]->write();
last_dump[idump] = ntimestep; last_dump[idump] = ntimestep;
} }
@ -158,25 +156,26 @@ void Output::setup(int flag)
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
perform all output for this timestep perform all output for this timestep
only perform output if next matches current step and last doesn't only perform output if next matches current step and last doesn't
insure next values force output on last step of run
do dump/restart before thermo so thermo CPU time will include them do dump/restart before thermo so thermo CPU time will include them
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
void Output::write(int ntimestep) void Output::write(int ntimestep)
{ {
// next_dump does not force output on last step of run
if (next_dump_any == ntimestep) { if (next_dump_any == ntimestep) {
for (int idump = 0; idump < ndump; idump++) { 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) {
dump[idump]->write(); dump[idump]->write();
last_dump[idump] = ntimestep; last_dump[idump] = ntimestep;
next_dump[idump] += dump_every[idump]; next_dump[idump] += dump_every[idump];
next_dump[idump] = MYMIN(next_dump[idump],update->laststep);
} }
if (idump) next_dump_any = MYMIN(next_dump_any,next_dump[idump]); if (idump) next_dump_any = MYMIN(next_dump_any,next_dump[idump]);
else next_dump_any = next_dump[0]; else next_dump_any = next_dump[0];
} }
} }
// 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
if (next_restart == ntimestep && last_restart != ntimestep) { if (next_restart == ntimestep && last_restart != ntimestep) {
@ -197,9 +196,10 @@ void Output::write(int ntimestep)
} }
last_restart = ntimestep; last_restart = ntimestep;
next_restart += restart_every; next_restart += restart_every;
next_restart = MYMIN(next_restart,update->laststep);
} }
// insure next_thermo forces output on last step of run
if (next_thermo == ntimestep && last_thermo != ntimestep) { if (next_thermo == ntimestep && last_thermo != ntimestep) {
thermo->compute(1); thermo->compute(1);
last_thermo = ntimestep; last_thermo = ntimestep;