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Allow sorting with reorderflag for more than 2 billion atoms

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This commit is contained in:
Stan Gerald Moore
2021-11-18 07:59:45 -07:00
parent 29471bd425
commit 5616336d5e
2 changed files with 4 additions and 7 deletions
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9
src/dump.cpp
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@ -237,9 +237,6 @@ void Dump::init()
irregular = new Irregular(lmp);
bigint size = group->count(igroup);
int bigintflag = 0;
if (size > MAXSMALLINT) bigintflag = 1;
int isize = static_cast<int> (size);
// set reorderflag = 1 if can simply reorder local atoms rather than sort
// criteria: sorting by ID, atom IDs are consecutive from 1 to Natoms
@ -253,7 +250,7 @@ void Dump::init()
if (utils::strmatch(fix->style,"^gcmc"))
gcmcflag = 1;
if (sortcol == 0 && atom->tag_consecutive() && !gcmcflag && !bigintflag) {
if (sortcol == 0 && atom->tag_consecutive() && !gcmcflag) {
tagint *tag = atom->tag;
int *mask = atom->mask;
int nlocal = atom->nlocal;
@ -269,7 +266,7 @@ void Dump::init()
MPI_Allreduce(&min,&minall,1,MPI_LMP_TAGINT,MPI_MIN,world);
MPI_Allreduce(&max,&maxall,1,MPI_LMP_TAGINT,MPI_MAX,world);
if (maxall-minall+1 == isize) {
if (maxall-minall+1 == size) {
reorderflag = 1;
double range = maxall-minall + EPSILON;
idlo = static_cast<tagint> (range*me/nprocs + minall);
@ -285,7 +282,7 @@ void Dump::init()
else if (me+1 != hi) idhi++;
nme_reorder = idhi-idlo;
ntotal_reorder = isize;
ntotal_reorder = size;
}
}
}