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Allow dump sort to work with more than 2 billion atoms

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Stan Gerald Moore
2021-11-04 19:59:48 -06:00
parent 3ec3085f39
commit 136c15a8ba
1 changed files with 3 additions and 2 deletions
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5
src/dump.cpp
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@ -237,7 +237,8 @@ void Dump::init()
irregular = new Irregular(lmp); irregular = new Irregular(lmp);
bigint size = group->count(igroup); bigint size = group->count(igroup);
if (size > MAXSMALLINT) error->all(FLERR,"Too many atoms to dump sort"); int bigintflag = 0;
if (size > MAXSMALLINT) bigintflag = 1;
int isize = static_cast<int> (size); int isize = static_cast<int> (size);
// set reorderflag = 1 if can simply reorder local atoms rather than sort // set reorderflag = 1 if can simply reorder local atoms rather than sort
@ -252,7 +253,7 @@ void Dump::init()
if (utils::strmatch(fix->style,"^gcmc")) if (utils::strmatch(fix->style,"^gcmc"))
gcmcflag = 1; gcmcflag = 1;
if (sortcol == 0 && atom->tag_consecutive() && !gcmcflag) { if (sortcol == 0 && atom->tag_consecutive() && !gcmcflag && !bigintflag) {
tagint *tag = atom->tag; tagint *tag = atom->tag;
int *mask = atom->mask; int *mask = atom->mask;
int nlocal = atom->nlocal; int nlocal = atom->nlocal;