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Disable trim from OPENMP and INTEL packages

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This commit is contained in:
Stan Gerald Moore
2022-07-12 08:25:20 -06:00
parent 4cb38038c8
commit 56dc342b5b
1 changed files with 24 additions and 14 deletions
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38
src/neighbor.cpp
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@ -1383,16 +1383,21 @@ void Neighbor::morph_halffull()
if (jrq->occasional) continue;
if (!jrq->full) continue;
// trim a list with longer cutoff
// trim a list with longer cutoff (not yet supported by OPENMP or INTEL)
if (irq->cut) icut = irq->cutoff;
else icut = cutneighmax;
if (irq->omp || irq->intel) {
if (irq->cut != jrq->cut) continue;
if (irq->cutoff != jrq->cutoff) continue;
} else {
if (irq->cut) icut = irq->cutoff;
else icut = cutneighmax;
if (jrq->cut) jcut = jrq->cutoff;
else jcut = cutneighmax;
if (jrq->cut) jcut = jrq->cutoff;
else jcut = cutneighmax;
if (icut > jcut) continue;
else if (icut != jcut) trim_flag = 1;
if (icut > jcut) continue;
else if (icut != jcut) trim_flag = 1;
}
// these flags must be same,
// else 2 lists do not store same pairs
@ -1461,16 +1466,21 @@ void Neighbor::morph_copy_trim()
if (jrq->copy && jrq->copylist == i) continue;
// trim a list with longer cutoff
// trim a list with longer cutoff (not yet supported by OPENMP or INTEL)
if (irq->cut) icut = irq->cutoff;
else icut = cutneighmax;
if (irq->omp || irq->intel) {
if (irq->cut != jrq->cut) continue;
if (irq->cutoff != jrq->cutoff) continue;
} else {
if (irq->cut) icut = irq->cutoff;
else icut = cutneighmax;
if (jrq->cut) jcut = jrq->cutoff;
else jcut = cutneighmax;
if (jrq->cut) jcut = jrq->cutoff;
else jcut = cutneighmax;
if (icut > jcut) continue;
else if (icut != jcut) trim_flag = 1;
if (icut > jcut) continue;
else if (icut != jcut) trim_flag = 1;
}
// other list (jrq) to copy from must be perpetual
// list that becomes a copy list (irq) can be perpetual or occasional