consistently refer to INTEL package in upper case
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@ -43,7 +43,7 @@ using namespace FixConst;
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#ifdef __INTEL_OFFLOAD
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#ifdef __INTEL_OFFLOAD
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#ifndef _LMP_INTEL_OFFLOAD
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#ifndef _LMP_INTEL_OFFLOAD
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#warning "Not building Intel package with Xeon Phi offload support."
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#warning "Not building INTEL package with Xeon Phi offload support."
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#endif
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#endif
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#endif
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#endif
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@ -303,7 +303,7 @@ void FixIntel::init()
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if (force->pair_match("^hybrid", 0) != nullptr) {
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if (force->pair_match("^hybrid", 0) != nullptr) {
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_pair_hybrid_flag = 1;
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_pair_hybrid_flag = 1;
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if (force->newton_pair != 0 && force->pair->no_virial_fdotr_compute)
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if (force->newton_pair != 0 && force->pair->no_virial_fdotr_compute)
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error->all(FLERR,"Intel package requires fdotr virial with newton on.");
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error->all(FLERR,"INTEL package requires fdotr virial with newton on.");
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} else
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} else
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_pair_hybrid_flag = 0;
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_pair_hybrid_flag = 0;
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@ -354,12 +354,12 @@ void FixIntel::init()
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void FixIntel::setup(int vflag)
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void FixIntel::setup(int vflag)
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{
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{
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if (neighbor->style != Neighbor::BIN)
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if (neighbor->style != Neighbor::BIN)
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error->all(FLERR,"Currently, neighbor style BIN must be used with Intel package.");
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error->all(FLERR,"Currently, neighbor style BIN must be used with INTEL package.");
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if (vflag > 3)
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if (vflag > 3)
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error->all(FLERR,"Cannot currently get per-atom virials with Intel package.");
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error->all(FLERR,"Cannot currently get per-atom virials with INTEL package.");
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#ifdef _LMP_INTEL_OFFLOAD
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#ifdef _LMP_INTEL_OFFLOAD
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if (neighbor->exclude_setting() != 0)
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if (neighbor->exclude_setting() != 0)
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error->all(FLERR,"Currently, cannot use neigh_modify exclude with Intel package offload.");
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error->all(FLERR,"Currently, cannot use neigh_modify exclude with INTEL package offload.");
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post_force(vflag);
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post_force(vflag);
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#endif
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#endif
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}
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}
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@ -512,8 +512,7 @@ void FixIntel::bond_init_check()
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}
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}
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if (intel_pair == 0)
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if (intel_pair == 0)
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error->all(FLERR,"Intel styles for bond/angle/dihedral/improper "
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error->all(FLERR,"Intel styles for bond/angle/dihedral/improper require intel pair style.");
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"require intel pair style.");
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}
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}
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/* ---------------------------------------------------------------------- */
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/* ---------------------------------------------------------------------- */
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@ -161,10 +161,8 @@ void NBinIntel::bin_atoms(IntelBuffers<flt_t,acc_t> * buffers) {
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const flt_t dx = (INTEL_BIGP - bboxhi[0]);
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const flt_t dx = (INTEL_BIGP - bboxhi[0]);
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const flt_t dy = (INTEL_BIGP - bboxhi[1]);
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const flt_t dy = (INTEL_BIGP - bboxhi[1]);
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const flt_t dz = (INTEL_BIGP - bboxhi[2]);
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const flt_t dz = (INTEL_BIGP - bboxhi[2]);
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if (dx * dx + dy * dy + dz * dz <
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if (dx * dx + dy * dy + dz * dz < static_cast<flt_t>(neighbor->cutneighmaxsq))
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static_cast<flt_t>(neighbor->cutneighmaxsq))
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error->one(FLERR,"INTEL package expects no atoms within cutoff of (1e15,1e15,1e15).");
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error->one(FLERR,
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"Intel package expects no atoms within cutoff of {1e15,1e15,1e15}.");
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}
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}
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// ---------- Grow and cast/pack buffers -------------
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// ---------- Grow and cast/pack buffers -------------
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@ -71,7 +71,7 @@ void VerletLRTIntel::init()
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#ifndef LMP_INTEL_USELRT
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#ifndef LMP_INTEL_USELRT
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error->all(FLERR,
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error->all(FLERR,
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"LRT otion for Intel package disabled at compile time");
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"LRT otion for INTEL package disabled at compile time");
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#endif
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#endif
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}
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}
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