From 56dc342b5b22b25f6e21e2ab2df3e0314ddb0acf Mon Sep 17 00:00:00 2001 From: Stan Gerald Moore Date: Tue, 12 Jul 2022 08:25:20 -0600 Subject: [PATCH] Disable trim from OPENMP and INTEL packages --- src/neighbor.cpp | 38 ++++++++++++++++++++++++-------------- 1 file changed, 24 insertions(+), 14 deletions(-) diff --git a/src/neighbor.cpp b/src/neighbor.cpp index deafc94a19..07eaf156a0 100644 --- a/src/neighbor.cpp +++ b/src/neighbor.cpp @@ -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