diff --git a/src/INTEL/fix_intel.cpp b/src/INTEL/fix_intel.cpp index 519181be52..2fe6b94515 100644 --- a/src/INTEL/fix_intel.cpp +++ b/src/INTEL/fix_intel.cpp @@ -303,8 +303,7 @@ void FixIntel::init() if (force->pair_match("^hybrid", 0) != nullptr) { _pair_hybrid_flag = 1; if (force->newton_pair != 0 && force->pair->no_virial_fdotr_compute) - error->all(FLERR, - "Intel package requires fdotr virial with newton on."); + error->all(FLERR,"Intel package requires fdotr virial with newton on."); } else _pair_hybrid_flag = 0; @@ -325,8 +324,7 @@ void FixIntel::init() _pair_hybrid_zero = 0; if (force->newton_pair == 0) _pair_hybrid_flag = 0; if (nstyles > 1) - error->all(FLERR, - "Currently, cannot offload more than one intel style with hybrid."); + error->all(FLERR,"Currently, cannot offload more than one intel style with hybrid."); } #endif @@ -356,15 +354,12 @@ void FixIntel::init() void FixIntel::setup(int vflag) { if (neighbor->style != Neighbor::BIN) - error->all(FLERR, - "Currently, neighbor style BIN must be used with Intel package."); + error->all(FLERR,"Currently, neighbor style BIN must be used with Intel package."); if (vflag > 3) - error->all(FLERR, - "Cannot currently get per-atom virials with Intel package."); + error->all(FLERR,"Cannot currently get per-atom virials with Intel package."); #ifdef _LMP_INTEL_OFFLOAD if (neighbor->exclude_setting() != 0) - error->all(FLERR, - "Currently, cannot use neigh_modify exclude with Intel package offload."); + error->all(FLERR,"Currently, cannot use neigh_modify exclude with Intel package offload."); post_force(vflag); #endif } @@ -425,14 +420,14 @@ void FixIntel::pair_init_check(const bool cdmessage) if (_offload_balance != 0.0 && comm->me == 0) { #ifndef __INTEL_COMPILER_BUILD_DATE - error->warning(FLERR, "Unknown Intel Compiler Version\n"); + error->warning(FLERR,"Unknown Intel Compiler Version\n"); #else if (__INTEL_COMPILER_BUILD_DATE != 20131008 && __INTEL_COMPILER_BUILD_DATE < 20141023) - error->warning(FLERR, "Unsupported Intel Compiler."); + error->warning(FLERR,"Unsupported Intel Compiler."); #endif #if !defined(__INTEL_COMPILER) - error->warning(FLERR, "Unsupported Intel Compiler."); + error->warning(FLERR,"Unsupported Intel Compiler."); #endif } @@ -505,8 +500,7 @@ void FixIntel::bond_init_check() { if ((_offload_balance != 0.0) && (atom->molecular != Atom::ATOMIC) && (force->newton_pair != force->newton_bond)) - error->all(FLERR, - "INTEL package requires same setting for newton bond and non-bond."); + error->all(FLERR,"INTEL package requires same setting for newton bond and non-bond."); int intel_pair = 0; if (force->pair_match("/intel$", 0) != nullptr) @@ -517,7 +511,7 @@ void FixIntel::bond_init_check() } if (intel_pair == 0) - error->all(FLERR, "Intel styles for bond/angle/dihedral/improper " + error->all(FLERR,"Intel styles for bond/angle/dihedral/improper " "require intel pair style."); } @@ -534,7 +528,7 @@ void FixIntel::kspace_init_check() } if (intel_pair == 0) - error->all(FLERR, "Intel styles for kspace require intel pair style."); + error->all(FLERR,"Intel styles for kspace require intel pair style."); } /* ---------------------------------------------------------------------- */ @@ -551,7 +545,7 @@ void FixIntel::check_neighbor_intel() _offload_noghost = 0; } if (neighbor->requests[i]->skip && _offload_balance != 0.0) - error->all(FLERR, "Cannot yet use hybrid styles with Intel offload."); + error->all(FLERR,"Cannot yet use hybrid styles with Intel offload."); // avoid flagging a neighbor list as both INTEL and OPENMP if (neighbor->requests[i]->intel) @@ -786,8 +780,7 @@ void FixIntel::add_oresults(const ft * _noalias const f_in, if (f_in[1].w == 1) error->all(FLERR,"Bad matrix inversion in mldivide3"); else - error->all(FLERR, - "Sphere particles not yet supported for gayberne/intel"); + error->all(FLERR,"Sphere particles not yet supported for gayberne/intel"); } } @@ -926,7 +919,7 @@ void FixIntel::add_off_results(const ft * _noalias const f_in, int nlocal = atom->nlocal; if (neighbor->ago == 0) { if (_off_overflow_flag[LMP_OVERFLOW]) - error->one(FLERR, "Neighbor list overflow, boost neigh_modify one"); + error->one(FLERR,"Neighbor list overflow, boost neigh_modify one"); _offload_nlocal = _off_overflow_flag[LMP_LOCAL_MAX] + 1; _offload_min_ghost = _off_overflow_flag[LMP_GHOST_MIN]; _offload_nghost = _off_overflow_flag[LMP_GHOST_MAX] + 1 - @@ -938,7 +931,7 @@ void FixIntel::add_off_results(const ft * _noalias const f_in, if (atom->torque) if (f_in[1].w < 0.0) - error->all(FLERR, "Bad matrix inversion in mldivide3"); + error->all(FLERR,"Bad matrix inversion in mldivide3"); add_results(f_in, ev_global, _off_results_eatom, _off_results_vatom, 1); // Load balance? @@ -1043,8 +1036,7 @@ void FixIntel::output_timing_data() { timers[TIME_OFFLOAD_PAIR]; double tt = MAX(ht,ct); if (timers[TIME_OFFLOAD_LATENCY] / tt > 0.07 && _separate_coi == 0) - error->warning(FLERR, - "Leaving a core free can improve performance for offload"); + error->warning(FLERR,"Leaving a core free can improve performance for offload"); } fprintf(_tscreen, "------------------------------------------------\n"); } @@ -1109,7 +1101,7 @@ void FixIntel::set_offload_affinity() int ppn = get_ppn(node_rank); if (ppn % _ncops != 0) - error->all(FLERR, "MPI tasks per node must be multiple of offload_cards"); + error->all(FLERR,"MPI tasks per node must be multiple of offload_cards"); ppn = ppn / _ncops; _cop = node_rank / ppn; node_rank = node_rank % ppn; @@ -1214,8 +1206,7 @@ int FixIntel::set_host_affinity(const int nomp) int subscription = nthreads * ppn; if (subscription > ncores) { if (rank == 0) - error->warning(FLERR, - "More MPI tasks/OpenMP threads than available cores"); + error->warning(FLERR,"More MPI tasks/OpenMP threads than available cores"); return 0; } if (subscription == ncores)