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../../lib/kokkos/core/src/Kokkos_Parallel.hpp:377:3:   required from 'void Kokkos::parallel_reduce(size_t, const FunctorType&, typename Kokkos::Impl::FunctorValueTraits<FunctorType, void>::reference_type) [with FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, false, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1> >; size_t = long unsigned int; typename Kokkos::Impl::FunctorValueTraits<FunctorType, void>::reference_type = s_EV_FLOAT&]'
../pair_table_kokkos.cpp:128:67:   required from 'void LAMMPS_NS::PairTableKokkos<DeviceType>::compute_style(int, int) [with int TABSTYLE = 1; DeviceType = Kokkos::OpenMP]'
../pair_table_kokkos.cpp:85:18:   required from 'void LAMMPS_NS::PairTableKokkos<DeviceType>::compute(int, int) [with DeviceType = Kokkos::OpenMP]'
../pair_table_kokkos.cpp:1378:16:   required from here
../pair_table_kokkos.cpp:270:32: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   if (Specialisation::TabStyle == LOOKUP) {
                                ^
../pair_table_kokkos.cpp:275:39: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   } else if (Specialisation::TabStyle == LINEAR) {
                                       ^
../pair_table_kokkos.cpp:281:39: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   } else if (Specialisation::TabStyle == SPLINE) {
                                       ^
../pair_table_kokkos.cpp: In instantiation of 'F_FLOAT LAMMPS_NS::PairTableKokkos<DeviceType>::compute_fpair(const F_FLOAT&, const int&, const int&, const int&, const int&) const [with bool STACKPARAMS = true; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1>; DeviceType = Kokkos::OpenMP; F_FLOAT = double]':
../pair_kokkos.h:128:40:   required from 'EV_FLOAT LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::compute_item(const int&, const LAMMPS_NS::NeighListKokkos<typename PairStyle::device_type>&, const LAMMPS_NS::NoCoulTag&) const [with int EVFLAG = 1; int NEWTON_PAIR = 1; PairStyle = LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>; int NEIGHFLAG = 1; bool STACKPARAMS = true; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1>; EV_FLOAT = s_EV_FLOAT; typename PairStyle::device_type = Kokkos::OpenMP]'
../pair_kokkos.h:330:36:   required from 'void LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::operator()(int, LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::value_type&) const [with PairStyle = LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>; int NEIGHFLAG = 1; bool STACKPARAMS = true; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1>; LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::value_type = s_EV_FLOAT]'
../../lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp:140:33:   required from 'static void Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::driver(typename Kokkos::Impl::enable_if<Kokkos::Impl::is_same<typename PType::work_tag, void>::value, const FunctorType&>::type, Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::reference_type, const PType&) [with PType = Kokkos::RangePolicy<Kokkos::OpenMP, void, void, Kokkos::OpenMP>::WorkRange; FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1> >; Arg0 = Kokkos::OpenMP; Arg1 = void; Arg2 = void; typename Kokkos::Impl::enable_if<Kokkos::Impl::is_same<typename PType::work_tag, void>::value, const FunctorType&>::type = const LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1> >&; Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::reference_type = s_EV_FLOAT&]'
../../lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp:182:13:   required from 'Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::ParallelReduce(typename Kokkos::Impl::enable_if<(Kokkos::Impl::is_view<ViewType>::value && Kokkos::Impl::is_same<typename ViewType::memory_space, Kokkos::HostSpace>::value), const FunctorType&>::type, const Policy&, const ViewType&) [with ViewType = Kokkos::View<s_EV_FLOAT, Kokkos::HostSpace, Kokkos::MemoryTraits<1u>, void, Kokkos::Impl::ViewDefault>; FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1> >; Arg0 = Kokkos::OpenMP; Arg1 = void; Arg2 = void; typename Kokkos::Impl::enable_if<(Kokkos::Impl::is_view<ViewType>::value && Kokkos::Impl::is_same<typename ViewType::memory_space, Kokkos::HostSpace>::value), const FunctorType&>::type = const LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1> >&; Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::Policy = Kokkos::RangePolicy<Kokkos::OpenMP, void, void, Kokkos::OpenMP>]'
../../lib/kokkos/core/src/Kokkos_Parallel.hpp:377:3:   required from 'void Kokkos::parallel_reduce(size_t, const FunctorType&, typename Kokkos::Impl::FunctorValueTraits<FunctorType, void>::reference_type) [with FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1> >; size_t = long unsigned int; typename Kokkos::Impl::FunctorValueTraits<FunctorType, void>::reference_type = s_EV_FLOAT&]'
../pair_table_kokkos.cpp:163:66:   required from 'void LAMMPS_NS::PairTableKokkos<DeviceType>::compute_style(int, int) [with int TABSTYLE = 1; DeviceType = Kokkos::OpenMP]'
../pair_table_kokkos.cpp:85:18:   required from 'void LAMMPS_NS::PairTableKokkos<DeviceType>::compute(int, int) [with DeviceType = Kokkos::OpenMP]'
../pair_table_kokkos.cpp:1378:16:   required from here
../pair_table_kokkos.cpp:225:32: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   if (Specialisation::TabStyle == LOOKUP) {
                                ^
../pair_table_kokkos.cpp:230:39: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   } else if (Specialisation::TabStyle == LINEAR) {
                                       ^
../pair_table_kokkos.cpp:236:39: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   } else if (Specialisation::TabStyle == SPLINE) {
                                       ^
../pair_table_kokkos.cpp: In instantiation of 'F_FLOAT LAMMPS_NS::PairTableKokkos<DeviceType>::compute_evdwl(const F_FLOAT&, const int&, const int&, const int&, const int&) const [with bool STACKPARAMS = true; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1>; DeviceType = Kokkos::OpenMP; F_FLOAT = double]':
../pair_kokkos.h:143:31:   required from 'EV_FLOAT LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::compute_item(const int&, const LAMMPS_NS::NeighListKokkos<typename PairStyle::device_type>&, const LAMMPS_NS::NoCoulTag&) const [with int EVFLAG = 1; int NEWTON_PAIR = 1; PairStyle = LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>; int NEIGHFLAG = 1; bool STACKPARAMS = true; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1>; EV_FLOAT = s_EV_FLOAT; typename PairStyle::device_type = Kokkos::OpenMP]'
../pair_kokkos.h:330:36:   required from 'void LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::operator()(int, LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::value_type&) const [with PairStyle = LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>; int NEIGHFLAG = 1; bool STACKPARAMS = true; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1>; LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::value_type = s_EV_FLOAT]'
../../lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp:140:33:   required from 'static void Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::driver(typename Kokkos::Impl::enable_if<Kokkos::Impl::is_same<typename PType::work_tag, void>::value, const FunctorType&>::type, Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::reference_type, const PType&) [with PType = Kokkos::RangePolicy<Kokkos::OpenMP, void, void, Kokkos::OpenMP>::WorkRange; FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1> >; Arg0 = Kokkos::OpenMP; Arg1 = void; Arg2 = void; typename Kokkos::Impl::enable_if<Kokkos::Impl::is_same<typename PType::work_tag, void>::value, const FunctorType&>::type = const LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1> >&; Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::reference_type = s_EV_FLOAT&]'
../../lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp:182:13:   required from 'Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::ParallelReduce(typename Kokkos::Impl::enable_if<(Kokkos::Impl::is_view<ViewType>::value && Kokkos::Impl::is_same<typename ViewType::memory_space, Kokkos::HostSpace>::value), const FunctorType&>::type, const Policy&, const ViewType&) [with ViewType = Kokkos::View<s_EV_FLOAT, Kokkos::HostSpace, Kokkos::MemoryTraits<1u>, void, Kokkos::Impl::ViewDefault>; FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1> >; Arg0 = Kokkos::OpenMP; Arg1 = void; Arg2 = void; typename Kokkos::Impl::enable_if<(Kokkos::Impl::is_view<ViewType>::value && Kokkos::Impl::is_same<typename ViewType::memory_space, Kokkos::HostSpace>::value), const FunctorType&>::type = const LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1> >&; Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::Policy = Kokkos::RangePolicy<Kokkos::OpenMP, void, void, Kokkos::OpenMP>]'
../../lib/kokkos/core/src/Kokkos_Parallel.hpp:377:3:   required from 'void Kokkos::parallel_reduce(size_t, const FunctorType&, typename Kokkos::Impl::FunctorValueTraits<FunctorType, void>::reference_type) [with FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1> >; size_t = long unsigned int; typename Kokkos::Impl::FunctorValueTraits<FunctorType, void>::reference_type = s_EV_FLOAT&]'
../pair_table_kokkos.cpp:163:66:   required from 'void LAMMPS_NS::PairTableKokkos<DeviceType>::compute_style(int, int) [with int TABSTYLE = 1; DeviceType = Kokkos::OpenMP]'
../pair_table_kokkos.cpp:85:18:   required from 'void LAMMPS_NS::PairTableKokkos<DeviceType>::compute(int, int) [with DeviceType = Kokkos::OpenMP]'
../pair_table_kokkos.cpp:1378:16:   required from here
../pair_table_kokkos.cpp:270:32: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   if (Specialisation::TabStyle == LOOKUP) {
                                ^
../pair_table_kokkos.cpp:275:39: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   } else if (Specialisation::TabStyle == LINEAR) {
                                       ^
../pair_table_kokkos.cpp:281:39: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 1>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   } else if (Specialisation::TabStyle == SPLINE) {
                                       ^
../pair_table_kokkos.cpp: In instantiation of 'F_FLOAT LAMMPS_NS::PairTableKokkos<DeviceType>::compute_fpair(const F_FLOAT&, const int&, const int&, const int&, const int&) const [with bool STACKPARAMS = false; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2>; DeviceType = Kokkos::OpenMP; F_FLOAT = double]':
../pair_kokkos.h:128:40:   required from 'EV_FLOAT LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::compute_item(const int&, const LAMMPS_NS::NeighListKokkos<typename PairStyle::device_type>&, const LAMMPS_NS::NoCoulTag&) const [with int EVFLAG = 1; int NEWTON_PAIR = 1; PairStyle = LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>; int NEIGHFLAG = 1; bool STACKPARAMS = false; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2>; EV_FLOAT = s_EV_FLOAT; typename PairStyle::device_type = Kokkos::OpenMP]'
../pair_kokkos.h:330:36:   required from 'void LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::operator()(int, LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::value_type&) const [with PairStyle = LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>; int NEIGHFLAG = 1; bool STACKPARAMS = false; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2>; LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::value_type = s_EV_FLOAT]'
../../lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp:140:33:   required from 'static void Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::driver(typename Kokkos::Impl::enable_if<Kokkos::Impl::is_same<typename PType::work_tag, void>::value, const FunctorType&>::type, Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::reference_type, const PType&) [with PType = Kokkos::RangePolicy<Kokkos::OpenMP, void, void, Kokkos::OpenMP>::WorkRange; FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, false, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2> >; Arg0 = Kokkos::OpenMP; Arg1 = void; Arg2 = void; typename Kokkos::Impl::enable_if<Kokkos::Impl::is_same<typename PType::work_tag, void>::value, const FunctorType&>::type = const LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, false, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2> >&; Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::reference_type = s_EV_FLOAT&]'
../../lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp:182:13:   required from 'Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::ParallelReduce(typename Kokkos::Impl::enable_if<(Kokkos::Impl::is_view<ViewType>::value && Kokkos::Impl::is_same<typename ViewType::memory_space, Kokkos::HostSpace>::value), const FunctorType&>::type, const Policy&, const ViewType&) [with ViewType = Kokkos::View<s_EV_FLOAT, Kokkos::HostSpace, Kokkos::MemoryTraits<1u>, void, Kokkos::Impl::ViewDefault>; FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, false, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2> >; Arg0 = Kokkos::OpenMP; Arg1 = void; Arg2 = void; typename Kokkos::Impl::enable_if<(Kokkos::Impl::is_view<ViewType>::value && Kokkos::Impl::is_same<typename ViewType::memory_space, Kokkos::HostSpace>::value), const FunctorType&>::type = const LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, false, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2> >&; Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::Policy = Kokkos::RangePolicy<Kokkos::OpenMP, void, void, Kokkos::OpenMP>]'
../../lib/kokkos/core/src/Kokkos_Parallel.hpp:377:3:   required from 'void Kokkos::parallel_reduce(size_t, const FunctorType&, typename Kokkos::Impl::FunctorValueTraits<FunctorType, void>::reference_type) [with FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, false, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2> >; size_t = long unsigned int; typename Kokkos::Impl::FunctorValueTraits<FunctorType, void>::reference_type = s_EV_FLOAT&]'
../pair_table_kokkos.cpp:128:67:   required from 'void LAMMPS_NS::PairTableKokkos<DeviceType>::compute_style(int, int) [with int TABSTYLE = 2; DeviceType = Kokkos::OpenMP]'
../pair_table_kokkos.cpp:87:18:   required from 'void LAMMPS_NS::PairTableKokkos<DeviceType>::compute(int, int) [with DeviceType = Kokkos::OpenMP]'
../pair_table_kokkos.cpp:1378:16:   required from here
../pair_table_kokkos.cpp:225:32: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   if (Specialisation::TabStyle == LOOKUP) {
                                ^
../pair_table_kokkos.cpp:230:39: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   } else if (Specialisation::TabStyle == LINEAR) {
                                       ^
../pair_table_kokkos.cpp:236:39: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   } else if (Specialisation::TabStyle == SPLINE) {
                                       ^
../pair_table_kokkos.cpp: In instantiation of 'F_FLOAT LAMMPS_NS::PairTableKokkos<DeviceType>::compute_evdwl(const F_FLOAT&, const int&, const int&, const int&, const int&) const [with bool STACKPARAMS = false; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2>; DeviceType = Kokkos::OpenMP; F_FLOAT = double]':
../pair_kokkos.h:143:31:   required from 'EV_FLOAT LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::compute_item(const int&, const LAMMPS_NS::NeighListKokkos<typename PairStyle::device_type>&, const LAMMPS_NS::NoCoulTag&) const [with int EVFLAG = 1; int NEWTON_PAIR = 1; PairStyle = LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>; int NEIGHFLAG = 1; bool STACKPARAMS = false; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2>; EV_FLOAT = s_EV_FLOAT; typename PairStyle::device_type = Kokkos::OpenMP]'
../pair_kokkos.h:330:36:   required from 'void LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::operator()(int, LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::value_type&) const [with PairStyle = LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>; int NEIGHFLAG = 1; bool STACKPARAMS = false; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2>; LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::value_type = s_EV_FLOAT]'
../../lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp:140:33:   required from 'static void Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::driver(typename Kokkos::Impl::enable_if<Kokkos::Impl::is_same<typename PType::work_tag, void>::value, const FunctorType&>::type, Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::reference_type, const PType&) [with PType = Kokkos::RangePolicy<Kokkos::OpenMP, void, void, Kokkos::OpenMP>::WorkRange; FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, false, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2> >; Arg0 = Kokkos::OpenMP; Arg1 = void; Arg2 = void; typename Kokkos::Impl::enable_if<Kokkos::Impl::is_same<typename PType::work_tag, void>::value, const FunctorType&>::type = const LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, false, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2> >&; Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::reference_type = s_EV_FLOAT&]'
../../lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp:182:13:   required from 'Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::ParallelReduce(typename Kokkos::Impl::enable_if<(Kokkos::Impl::is_view<ViewType>::value && Kokkos::Impl::is_same<typename ViewType::memory_space, Kokkos::HostSpace>::value), const FunctorType&>::type, const Policy&, const ViewType&) [with ViewType = Kokkos::View<s_EV_FLOAT, Kokkos::HostSpace, Kokkos::MemoryTraits<1u>, void, Kokkos::Impl::ViewDefault>; FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, false, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2> >; Arg0 = Kokkos::OpenMP; Arg1 = void; Arg2 = void; typename Kokkos::Impl::enable_if<(Kokkos::Impl::is_view<ViewType>::value && Kokkos::Impl::is_same<typename ViewType::memory_space, Kokkos::HostSpace>::value), const FunctorType&>::type = const LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, false, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2> >&; Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::Policy = Kokkos::RangePolicy<Kokkos::OpenMP, void, void, Kokkos::OpenMP>]'
../../lib/kokkos/core/src/Kokkos_Parallel.hpp:377:3:   required from 'void Kokkos::parallel_reduce(size_t, const FunctorType&, typename Kokkos::Impl::FunctorValueTraits<FunctorType, void>::reference_type) [with FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, false, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2> >; size_t = long unsigned int; typename Kokkos::Impl::FunctorValueTraits<FunctorType, void>::reference_type = s_EV_FLOAT&]'
../pair_table_kokkos.cpp:128:67:   required from 'void LAMMPS_NS::PairTableKokkos<DeviceType>::compute_style(int, int) [with int TABSTYLE = 2; DeviceType = Kokkos::OpenMP]'
../pair_table_kokkos.cpp:87:18:   required from 'void LAMMPS_NS::PairTableKokkos<DeviceType>::compute(int, int) [with DeviceType = Kokkos::OpenMP]'
../pair_table_kokkos.cpp:1378:16:   required from here
../pair_table_kokkos.cpp:270:32: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   if (Specialisation::TabStyle == LOOKUP) {
                                ^
../pair_table_kokkos.cpp:275:39: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   } else if (Specialisation::TabStyle == LINEAR) {
                                       ^
../pair_table_kokkos.cpp:281:39: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   } else if (Specialisation::TabStyle == SPLINE) {
                                       ^
../pair_table_kokkos.cpp: In instantiation of 'F_FLOAT LAMMPS_NS::PairTableKokkos<DeviceType>::compute_fpair(const F_FLOAT&, const int&, const int&, const int&, const int&) const [with bool STACKPARAMS = true; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2>; DeviceType = Kokkos::OpenMP; F_FLOAT = double]':
../pair_kokkos.h:128:40:   required from 'EV_FLOAT LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::compute_item(const int&, const LAMMPS_NS::NeighListKokkos<typename PairStyle::device_type>&, const LAMMPS_NS::NoCoulTag&) const [with int EVFLAG = 1; int NEWTON_PAIR = 1; PairStyle = LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>; int NEIGHFLAG = 1; bool STACKPARAMS = true; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2>; EV_FLOAT = s_EV_FLOAT; typename PairStyle::device_type = Kokkos::OpenMP]'
../pair_kokkos.h:330:36:   required from 'void LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::operator()(int, LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::value_type&) const [with PairStyle = LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>; int NEIGHFLAG = 1; bool STACKPARAMS = true; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2>; LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::value_type = s_EV_FLOAT]'
../../lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp:140:33:   required from 'static void Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::driver(typename Kokkos::Impl::enable_if<Kokkos::Impl::is_same<typename PType::work_tag, void>::value, const FunctorType&>::type, Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::reference_type, const PType&) [with PType = Kokkos::RangePolicy<Kokkos::OpenMP, void, void, Kokkos::OpenMP>::WorkRange; FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2> >; Arg0 = Kokkos::OpenMP; Arg1 = void; Arg2 = void; typename Kokkos::Impl::enable_if<Kokkos::Impl::is_same<typename PType::work_tag, void>::value, const FunctorType&>::type = const LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2> >&; Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::reference_type = s_EV_FLOAT&]'
../../lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp:182:13:   required from 'Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::ParallelReduce(typename Kokkos::Impl::enable_if<(Kokkos::Impl::is_view<ViewType>::value && Kokkos::Impl::is_same<typename ViewType::memory_space, Kokkos::HostSpace>::value), const FunctorType&>::type, const Policy&, const ViewType&) [with ViewType = Kokkos::View<s_EV_FLOAT, Kokkos::HostSpace, Kokkos::MemoryTraits<1u>, void, Kokkos::Impl::ViewDefault>; FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2> >; Arg0 = Kokkos::OpenMP; Arg1 = void; Arg2 = void; typename Kokkos::Impl::enable_if<(Kokkos::Impl::is_view<ViewType>::value && Kokkos::Impl::is_same<typename ViewType::memory_space, Kokkos::HostSpace>::value), const FunctorType&>::type = const LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2> >&; Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::Policy = Kokkos::RangePolicy<Kokkos::OpenMP, void, void, Kokkos::OpenMP>]'
../../lib/kokkos/core/src/Kokkos_Parallel.hpp:377:3:   required from 'void Kokkos::parallel_reduce(size_t, const FunctorType&, typename Kokkos::Impl::FunctorValueTraits<FunctorType, void>::reference_type) [with FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2> >; size_t = long unsigned int; typename Kokkos::Impl::FunctorValueTraits<FunctorType, void>::reference_type = s_EV_FLOAT&]'
../pair_table_kokkos.cpp:163:66:   required from 'void LAMMPS_NS::PairTableKokkos<DeviceType>::compute_style(int, int) [with int TABSTYLE = 2; DeviceType = Kokkos::OpenMP]'
../pair_table_kokkos.cpp:87:18:   required from 'void LAMMPS_NS::PairTableKokkos<DeviceType>::compute(int, int) [with DeviceType = Kokkos::OpenMP]'
../pair_table_kokkos.cpp:1378:16:   required from here
../pair_table_kokkos.cpp:225:32: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   if (Specialisation::TabStyle == LOOKUP) {
                                ^
../pair_table_kokkos.cpp:230:39: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   } else if (Specialisation::TabStyle == LINEAR) {
                                       ^
../pair_table_kokkos.cpp:236:39: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   } else if (Specialisation::TabStyle == SPLINE) {
                                       ^
../pair_table_kokkos.cpp: In instantiation of 'F_FLOAT LAMMPS_NS::PairTableKokkos<DeviceType>::compute_evdwl(const F_FLOAT&, const int&, const int&, const int&, const int&) const [with bool STACKPARAMS = true; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2>; DeviceType = Kokkos::OpenMP; F_FLOAT = double]':
../pair_kokkos.h:143:31:   required from 'EV_FLOAT LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::compute_item(const int&, const LAMMPS_NS::NeighListKokkos<typename PairStyle::device_type>&, const LAMMPS_NS::NoCoulTag&) const [with int EVFLAG = 1; int NEWTON_PAIR = 1; PairStyle = LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>; int NEIGHFLAG = 1; bool STACKPARAMS = true; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2>; EV_FLOAT = s_EV_FLOAT; typename PairStyle::device_type = Kokkos::OpenMP]'
../pair_kokkos.h:330:36:   required from 'void LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::operator()(int, LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::value_type&) const [with PairStyle = LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>; int NEIGHFLAG = 1; bool STACKPARAMS = true; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2>; LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::value_type = s_EV_FLOAT]'
../../lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp:140:33:   required from 'static void Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::driver(typename Kokkos::Impl::enable_if<Kokkos::Impl::is_same<typename PType::work_tag, void>::value, const FunctorType&>::type, Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::reference_type, const PType&) [with PType = Kokkos::RangePolicy<Kokkos::OpenMP, void, void, Kokkos::OpenMP>::WorkRange; FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2> >; Arg0 = Kokkos::OpenMP; Arg1 = void; Arg2 = void; typename Kokkos::Impl::enable_if<Kokkos::Impl::is_same<typename PType::work_tag, void>::value, const FunctorType&>::type = const LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2> >&; Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::reference_type = s_EV_FLOAT&]'
../../lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp:182:13:   required from 'Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::ParallelReduce(typename Kokkos::Impl::enable_if<(Kokkos::Impl::is_view<ViewType>::value && Kokkos::Impl::is_same<typename ViewType::memory_space, Kokkos::HostSpace>::value), const FunctorType&>::type, const Policy&, const ViewType&) [with ViewType = Kokkos::View<s_EV_FLOAT, Kokkos::HostSpace, Kokkos::MemoryTraits<1u>, void, Kokkos::Impl::ViewDefault>; FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2> >; Arg0 = Kokkos::OpenMP; Arg1 = void; Arg2 = void; typename Kokkos::Impl::enable_if<(Kokkos::Impl::is_view<ViewType>::value && Kokkos::Impl::is_same<typename ViewType::memory_space, Kokkos::HostSpace>::value), const FunctorType&>::type = const LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2> >&; Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::Policy = Kokkos::RangePolicy<Kokkos::OpenMP, void, void, Kokkos::OpenMP>]'
../../lib/kokkos/core/src/Kokkos_Parallel.hpp:377:3:   required from 'void Kokkos::parallel_reduce(size_t, const FunctorType&, typename Kokkos::Impl::FunctorValueTraits<FunctorType, void>::reference_type) [with FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2> >; size_t = long unsigned int; typename Kokkos::Impl::FunctorValueTraits<FunctorType, void>::reference_type = s_EV_FLOAT&]'
../pair_table_kokkos.cpp:163:66:   required from 'void LAMMPS_NS::PairTableKokkos<DeviceType>::compute_style(int, int) [with int TABSTYLE = 2; DeviceType = Kokkos::OpenMP]'
../pair_table_kokkos.cpp:87:18:   required from 'void LAMMPS_NS::PairTableKokkos<DeviceType>::compute(int, int) [with DeviceType = Kokkos::OpenMP]'
../pair_table_kokkos.cpp:1378:16:   required from here
../pair_table_kokkos.cpp:270:32: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   if (Specialisation::TabStyle == LOOKUP) {
                                ^
../pair_table_kokkos.cpp:275:39: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   } else if (Specialisation::TabStyle == LINEAR) {
                                       ^
../pair_table_kokkos.cpp:281:39: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 2>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   } else if (Specialisation::TabStyle == SPLINE) {
                                       ^
../pair_table_kokkos.cpp: In instantiation of 'F_FLOAT LAMMPS_NS::PairTableKokkos<DeviceType>::compute_fpair(const F_FLOAT&, const int&, const int&, const int&, const int&) const [with bool STACKPARAMS = false; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3>; DeviceType = Kokkos::OpenMP; F_FLOAT = double]':
../pair_kokkos.h:128:40:   required from 'EV_FLOAT LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::compute_item(const int&, const LAMMPS_NS::NeighListKokkos<typename PairStyle::device_type>&, const LAMMPS_NS::NoCoulTag&) const [with int EVFLAG = 1; int NEWTON_PAIR = 1; PairStyle = LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>; int NEIGHFLAG = 1; bool STACKPARAMS = false; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3>; EV_FLOAT = s_EV_FLOAT; typename PairStyle::device_type = Kokkos::OpenMP]'
../pair_kokkos.h:330:36:   required from 'void LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::operator()(int, LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::value_type&) const [with PairStyle = LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>; int NEIGHFLAG = 1; bool STACKPARAMS = false; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3>; LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::value_type = s_EV_FLOAT]'
../../lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp:140:33:   required from 'static void Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::driver(typename Kokkos::Impl::enable_if<Kokkos::Impl::is_same<typename PType::work_tag, void>::value, const FunctorType&>::type, Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::reference_type, const PType&) [with PType = Kokkos::RangePolicy<Kokkos::OpenMP, void, void, Kokkos::OpenMP>::WorkRange; FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, false, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3> >; Arg0 = Kokkos::OpenMP; Arg1 = void; Arg2 = void; typename Kokkos::Impl::enable_if<Kokkos::Impl::is_same<typename PType::work_tag, void>::value, const FunctorType&>::type = const LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, false, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3> >&; Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::reference_type = s_EV_FLOAT&]'
../../lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp:182:13:   required from 'Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::ParallelReduce(typename Kokkos::Impl::enable_if<(Kokkos::Impl::is_view<ViewType>::value && Kokkos::Impl::is_same<typename ViewType::memory_space, Kokkos::HostSpace>::value), const FunctorType&>::type, const Policy&, const ViewType&) [with ViewType = Kokkos::View<s_EV_FLOAT, Kokkos::HostSpace, Kokkos::MemoryTraits<1u>, void, Kokkos::Impl::ViewDefault>; FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, false, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3> >; Arg0 = Kokkos::OpenMP; Arg1 = void; Arg2 = void; typename Kokkos::Impl::enable_if<(Kokkos::Impl::is_view<ViewType>::value && Kokkos::Impl::is_same<typename ViewType::memory_space, Kokkos::HostSpace>::value), const FunctorType&>::type = const LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, false, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3> >&; Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::Policy = Kokkos::RangePolicy<Kokkos::OpenMP, void, void, Kokkos::OpenMP>]'
../../lib/kokkos/core/src/Kokkos_Parallel.hpp:377:3:   required from 'void Kokkos::parallel_reduce(size_t, const FunctorType&, typename Kokkos::Impl::FunctorValueTraits<FunctorType, void>::reference_type) [with FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, false, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3> >; size_t = long unsigned int; typename Kokkos::Impl::FunctorValueTraits<FunctorType, void>::reference_type = s_EV_FLOAT&]'
../pair_table_kokkos.cpp:128:67:   required from 'void LAMMPS_NS::PairTableKokkos<DeviceType>::compute_style(int, int) [with int TABSTYLE = 3; DeviceType = Kokkos::OpenMP]'
../pair_table_kokkos.cpp:89:18:   required from 'void LAMMPS_NS::PairTableKokkos<DeviceType>::compute(int, int) [with DeviceType = Kokkos::OpenMP]'
../pair_table_kokkos.cpp:1378:16:   required from here
../pair_table_kokkos.cpp:225:32: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   if (Specialisation::TabStyle == LOOKUP) {
                                ^
../pair_table_kokkos.cpp:230:39: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   } else if (Specialisation::TabStyle == LINEAR) {
                                       ^
../pair_table_kokkos.cpp:236:39: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   } else if (Specialisation::TabStyle == SPLINE) {
                                       ^
../pair_table_kokkos.cpp: In instantiation of 'F_FLOAT LAMMPS_NS::PairTableKokkos<DeviceType>::compute_evdwl(const F_FLOAT&, const int&, const int&, const int&, const int&) const [with bool STACKPARAMS = false; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3>; DeviceType = Kokkos::OpenMP; F_FLOAT = double]':
../pair_kokkos.h:143:31:   required from 'EV_FLOAT LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::compute_item(const int&, const LAMMPS_NS::NeighListKokkos<typename PairStyle::device_type>&, const LAMMPS_NS::NoCoulTag&) const [with int EVFLAG = 1; int NEWTON_PAIR = 1; PairStyle = LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>; int NEIGHFLAG = 1; bool STACKPARAMS = false; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3>; EV_FLOAT = s_EV_FLOAT; typename PairStyle::device_type = Kokkos::OpenMP]'
../pair_kokkos.h:330:36:   required from 'void LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::operator()(int, LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::value_type&) const [with PairStyle = LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>; int NEIGHFLAG = 1; bool STACKPARAMS = false; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3>; LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::value_type = s_EV_FLOAT]'
../../lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp:140:33:   required from 'static void Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::driver(typename Kokkos::Impl::enable_if<Kokkos::Impl::is_same<typename PType::work_tag, void>::value, const FunctorType&>::type, Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::reference_type, const PType&) [with PType = Kokkos::RangePolicy<Kokkos::OpenMP, void, void, Kokkos::OpenMP>::WorkRange; FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, false, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3> >; Arg0 = Kokkos::OpenMP; Arg1 = void; Arg2 = void; typename Kokkos::Impl::enable_if<Kokkos::Impl::is_same<typename PType::work_tag, void>::value, const FunctorType&>::type = const LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, false, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3> >&; Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::reference_type = s_EV_FLOAT&]'
../../lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp:182:13:   required from 'Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::ParallelReduce(typename Kokkos::Impl::enable_if<(Kokkos::Impl::is_view<ViewType>::value && Kokkos::Impl::is_same<typename ViewType::memory_space, Kokkos::HostSpace>::value), const FunctorType&>::type, const Policy&, const ViewType&) [with ViewType = Kokkos::View<s_EV_FLOAT, Kokkos::HostSpace, Kokkos::MemoryTraits<1u>, void, Kokkos::Impl::ViewDefault>; FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, false, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3> >; Arg0 = Kokkos::OpenMP; Arg1 = void; Arg2 = void; typename Kokkos::Impl::enable_if<(Kokkos::Impl::is_view<ViewType>::value && Kokkos::Impl::is_same<typename ViewType::memory_space, Kokkos::HostSpace>::value), const FunctorType&>::type = const LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, false, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3> >&; Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::Policy = Kokkos::RangePolicy<Kokkos::OpenMP, void, void, Kokkos::OpenMP>]'
../../lib/kokkos/core/src/Kokkos_Parallel.hpp:377:3:   required from 'void Kokkos::parallel_reduce(size_t, const FunctorType&, typename Kokkos::Impl::FunctorValueTraits<FunctorType, void>::reference_type) [with FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, false, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3> >; size_t = long unsigned int; typename Kokkos::Impl::FunctorValueTraits<FunctorType, void>::reference_type = s_EV_FLOAT&]'
../pair_table_kokkos.cpp:128:67:   required from 'void LAMMPS_NS::PairTableKokkos<DeviceType>::compute_style(int, int) [with int TABSTYLE = 3; DeviceType = Kokkos::OpenMP]'
../pair_table_kokkos.cpp:89:18:   required from 'void LAMMPS_NS::PairTableKokkos<DeviceType>::compute(int, int) [with DeviceType = Kokkos::OpenMP]'
../pair_table_kokkos.cpp:1378:16:   required from here
../pair_table_kokkos.cpp:270:32: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   if (Specialisation::TabStyle == LOOKUP) {
                                ^
../pair_table_kokkos.cpp:275:39: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   } else if (Specialisation::TabStyle == LINEAR) {
                                       ^
../pair_table_kokkos.cpp:281:39: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   } else if (Specialisation::TabStyle == SPLINE) {
                                       ^
../pair_table_kokkos.cpp: In instantiation of 'F_FLOAT LAMMPS_NS::PairTableKokkos<DeviceType>::compute_fpair(const F_FLOAT&, const int&, const int&, const int&, const int&) const [with bool STACKPARAMS = true; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3>; DeviceType = Kokkos::OpenMP; F_FLOAT = double]':
../pair_kokkos.h:128:40:   required from 'EV_FLOAT LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::compute_item(const int&, const LAMMPS_NS::NeighListKokkos<typename PairStyle::device_type>&, const LAMMPS_NS::NoCoulTag&) const [with int EVFLAG = 1; int NEWTON_PAIR = 1; PairStyle = LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>; int NEIGHFLAG = 1; bool STACKPARAMS = true; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3>; EV_FLOAT = s_EV_FLOAT; typename PairStyle::device_type = Kokkos::OpenMP]'
../pair_kokkos.h:330:36:   required from 'void LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::operator()(int, LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::value_type&) const [with PairStyle = LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>; int NEIGHFLAG = 1; bool STACKPARAMS = true; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3>; LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::value_type = s_EV_FLOAT]'
../../lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp:140:33:   required from 'static void Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::driver(typename Kokkos::Impl::enable_if<Kokkos::Impl::is_same<typename PType::work_tag, void>::value, const FunctorType&>::type, Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::reference_type, const PType&) [with PType = Kokkos::RangePolicy<Kokkos::OpenMP, void, void, Kokkos::OpenMP>::WorkRange; FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3> >; Arg0 = Kokkos::OpenMP; Arg1 = void; Arg2 = void; typename Kokkos::Impl::enable_if<Kokkos::Impl::is_same<typename PType::work_tag, void>::value, const FunctorType&>::type = const LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3> >&; Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::reference_type = s_EV_FLOAT&]'
../../lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp:182:13:   required from 'Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::ParallelReduce(typename Kokkos::Impl::enable_if<(Kokkos::Impl::is_view<ViewType>::value && Kokkos::Impl::is_same<typename ViewType::memory_space, Kokkos::HostSpace>::value), const FunctorType&>::type, const Policy&, const ViewType&) [with ViewType = Kokkos::View<s_EV_FLOAT, Kokkos::HostSpace, Kokkos::MemoryTraits<1u>, void, Kokkos::Impl::ViewDefault>; FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3> >; Arg0 = Kokkos::OpenMP; Arg1 = void; Arg2 = void; typename Kokkos::Impl::enable_if<(Kokkos::Impl::is_view<ViewType>::value && Kokkos::Impl::is_same<typename ViewType::memory_space, Kokkos::HostSpace>::value), const FunctorType&>::type = const LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3> >&; Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::Policy = Kokkos::RangePolicy<Kokkos::OpenMP, void, void, Kokkos::OpenMP>]'
../../lib/kokkos/core/src/Kokkos_Parallel.hpp:377:3:   required from 'void Kokkos::parallel_reduce(size_t, const FunctorType&, typename Kokkos::Impl::FunctorValueTraits<FunctorType, void>::reference_type) [with FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3> >; size_t = long unsigned int; typename Kokkos::Impl::FunctorValueTraits<FunctorType, void>::reference_type = s_EV_FLOAT&]'
../pair_table_kokkos.cpp:163:66:   required from 'void LAMMPS_NS::PairTableKokkos<DeviceType>::compute_style(int, int) [with int TABSTYLE = 3; DeviceType = Kokkos::OpenMP]'
../pair_table_kokkos.cpp:89:18:   required from 'void LAMMPS_NS::PairTableKokkos<DeviceType>::compute(int, int) [with DeviceType = Kokkos::OpenMP]'
../pair_table_kokkos.cpp:1378:16:   required from here
../pair_table_kokkos.cpp:225:32: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   if (Specialisation::TabStyle == LOOKUP) {
                                ^
../pair_table_kokkos.cpp:230:39: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   } else if (Specialisation::TabStyle == LINEAR) {
                                       ^
../pair_table_kokkos.cpp:236:39: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   } else if (Specialisation::TabStyle == SPLINE) {
                                       ^
../pair_table_kokkos.cpp: In instantiation of 'F_FLOAT LAMMPS_NS::PairTableKokkos<DeviceType>::compute_evdwl(const F_FLOAT&, const int&, const int&, const int&, const int&) const [with bool STACKPARAMS = true; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3>; DeviceType = Kokkos::OpenMP; F_FLOAT = double]':
../pair_kokkos.h:143:31:   required from 'EV_FLOAT LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::compute_item(const int&, const LAMMPS_NS::NeighListKokkos<typename PairStyle::device_type>&, const LAMMPS_NS::NoCoulTag&) const [with int EVFLAG = 1; int NEWTON_PAIR = 1; PairStyle = LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>; int NEIGHFLAG = 1; bool STACKPARAMS = true; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3>; EV_FLOAT = s_EV_FLOAT; typename PairStyle::device_type = Kokkos::OpenMP]'
../pair_kokkos.h:330:36:   required from 'void LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::operator()(int, LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::value_type&) const [with PairStyle = LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>; int NEIGHFLAG = 1; bool STACKPARAMS = true; Specialisation = LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3>; LAMMPS_NS::PairComputeFunctor<PairStyle, NEIGHFLAG, STACKPARAMS, Specialisation>::value_type = s_EV_FLOAT]'
../../lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp:140:33:   required from 'static void Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::driver(typename Kokkos::Impl::enable_if<Kokkos::Impl::is_same<typename PType::work_tag, void>::value, const FunctorType&>::type, Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::reference_type, const PType&) [with PType = Kokkos::RangePolicy<Kokkos::OpenMP, void, void, Kokkos::OpenMP>::WorkRange; FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3> >; Arg0 = Kokkos::OpenMP; Arg1 = void; Arg2 = void; typename Kokkos::Impl::enable_if<Kokkos::Impl::is_same<typename PType::work_tag, void>::value, const FunctorType&>::type = const LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3> >&; Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::reference_type = s_EV_FLOAT&]'
../../lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp:182:13:   required from 'Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::ParallelReduce(typename Kokkos::Impl::enable_if<(Kokkos::Impl::is_view<ViewType>::value && Kokkos::Impl::is_same<typename ViewType::memory_space, Kokkos::HostSpace>::value), const FunctorType&>::type, const Policy&, const ViewType&) [with ViewType = Kokkos::View<s_EV_FLOAT, Kokkos::HostSpace, Kokkos::MemoryTraits<1u>, void, Kokkos::Impl::ViewDefault>; FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3> >; Arg0 = Kokkos::OpenMP; Arg1 = void; Arg2 = void; typename Kokkos::Impl::enable_if<(Kokkos::Impl::is_view<ViewType>::value && Kokkos::Impl::is_same<typename ViewType::memory_space, Kokkos::HostSpace>::value), const FunctorType&>::type = const LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3> >&; Kokkos::Impl::ParallelReduce<FunctorType, Kokkos::RangePolicy<Arg0, Arg1, Arg2, Kokkos::OpenMP> >::Policy = Kokkos::RangePolicy<Kokkos::OpenMP, void, void, Kokkos::OpenMP>]'
../../lib/kokkos/core/src/Kokkos_Parallel.hpp:377:3:   required from 'void Kokkos::parallel_reduce(size_t, const FunctorType&, typename Kokkos::Impl::FunctorValueTraits<FunctorType, void>::reference_type) [with FunctorType = LAMMPS_NS::PairComputeFunctor<LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>, 1, true, LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3> >; size_t = long unsigned int; typename Kokkos::Impl::FunctorValueTraits<FunctorType, void>::reference_type = s_EV_FLOAT&]'
../pair_table_kokkos.cpp:163:66:   required from 'void LAMMPS_NS::PairTableKokkos<DeviceType>::compute_style(int, int) [with int TABSTYLE = 3; DeviceType = Kokkos::OpenMP]'
../pair_table_kokkos.cpp:89:18:   required from 'void LAMMPS_NS::PairTableKokkos<DeviceType>::compute(int, int) [with DeviceType = Kokkos::OpenMP]'
../pair_table_kokkos.cpp:1378:16:   required from here
../pair_table_kokkos.cpp:270:32: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   if (Specialisation::TabStyle == LOOKUP) {
                                ^
../pair_table_kokkos.cpp:275:39: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   } else if (Specialisation::TabStyle == LINEAR) {
                                       ^
../pair_table_kokkos.cpp:281:39: warning: comparison between 'enum LAMMPS_NS::S_TableCompute<Kokkos::OpenMP, 3>::<anonymous>' and 'enum LAMMPS_NS::PairTableKokkos<Kokkos::OpenMP>::<anonymous>' [-Wenum-compare]
   } else if (Specialisation::TabStyle == SPLINE) {
                                       ^
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_table_omp.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_tersoff.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_tersoff_kokkos.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_tersoff_mod.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_tersoff_mod_kokkos.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_tersoff_mod_omp.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_tersoff_omp.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_tersoff_table.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_tersoff_table_omp.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_tersoff_zbl.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_tersoff_zbl_kokkos.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_tersoff_zbl_omp.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_tip4p_cut.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_tip4p_cut_omp.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_tip4p_long.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_tip4p_long_omp.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_tip4p_long_soft.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_tip4p_long_soft_omp.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_tri_lj.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_tri_lj_omp.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_yukawa_colloid.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_yukawa_colloid_omp.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_yukawa.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_yukawa_omp.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_zbl.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pair_zbl_omp.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pppm_cg.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pppm_cg_omp.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pppm.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pppm_disp.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pppm_disp_omp.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pppm_disp_tip4p.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pppm_disp_tip4p_omp.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pppm_omp.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pppm_stagger.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pppm_tip4p.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../pppm_tip4p_omp.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../prd.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../procmap.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../random_mars.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../random_park.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../rcb.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../read_data.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../read_dump.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../reader.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../reader_native.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../reader_xyz.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../read_restart.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../reaxc_allocate.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../reaxc_bond_orders.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../reaxc_bonds.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../reaxc_control.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../reaxc_ffield.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../reaxc_forces.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../reaxc_hydrogen_bonds.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../reaxc_init_md.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../reaxc_io_tools.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../reaxc_list.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../reaxc_lookup.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../reaxc_multi_body.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../reaxc_nonbonded.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../reaxc_reset_tools.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../reaxc_system_props.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../reaxc_tool_box.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../reaxc_torsion_angles.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../reaxc_traj.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../reaxc_valence_angles.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../reaxc_vector.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../region_block.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../region_cone.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../region.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../region_cylinder.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../region_intersect.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../region_plane.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../region_prism.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../region_sphere.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../region_union.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../remap.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../remap_wrap.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../replicate.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../rerun.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../respa.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../respa_omp.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../restart_mpiio.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../run.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../set.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../sna.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../special.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../tad.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../temper.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../thermo.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../thr_data.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../thr_omp.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../timer.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../universe.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../update.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../variable.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../velocity.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../verlet.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../verlet_intel.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../verlet_kokkos.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../verlet_split.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../verlet_split_intel.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../write_data.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../write_dump.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../write_restart.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../xdr_compat.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../../lib/kokkos/core/src/impl/Kokkos_Core.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../../lib/kokkos/core/src/impl/Kokkos_Error.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../../lib/kokkos/core/src/impl/Kokkos_HostSpace.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../../lib/kokkos/core/src/impl/Kokkos_hwloc.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../../lib/kokkos/core/src/impl/Kokkos_Serial.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../../lib/kokkos/core/src/impl/Kokkos_Serial_TaskPolicy.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../../lib/kokkos/core/src/impl/Kokkos_Shape.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../../lib/kokkos/core/src/impl/Kokkos_spinwait.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../../lib/kokkos/containers/src/impl/Kokkos_UnorderedMap_impl.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../../lib/kokkos/core/src/Threads/Kokkos_ThreadsExec_base.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../../lib/kokkos/core/src/Threads/Kokkos_ThreadsExec.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c ../../lib/kokkos/core/src/OpenMP/Kokkos_OpenMPexec.cpp
ar cr libkokkoscore.a Kokkos_Core.o Kokkos_Error.o Kokkos_HostSpace.o Kokkos_hwloc.o Kokkos_Serial.o Kokkos_Serial_TaskPolicy.o Kokkos_Shape.o Kokkos_spinwait.o Kokkos_UnorderedMap_impl.o Kokkos_ThreadsExec_base.o Kokkos_ThreadsExec.o Kokkos_OpenMPexec.o	
touch kokkos_depend.cpp
CC -O3 -ffast-math -fstrict-aliasing -fomit-frame-pointer -finline-functions -DLAMMPS_MEMALIGN=64  -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_USER_INTEL -I../../lib/colvars -I../../lib/reax -I../../lib/poems -DLMP_MPIIO -I../../lib/meam -DLMP_KOKKOS  -DMPICH_SKIP_MPICXX -DFFT_FFTW3     -I../../lib/kokkos/core/src -I../../lib/kokkos/containers/src -I../../lib/kokkos/algorithms/src -I../../lib/kokkos/linalg/src -I../ -DKOKKOS_DONT_INCLUDE_CORE_CONFIG_H  -DKOKKOS_HAVE_PTHREAD -DKOKKOS_HAVE_OPENMP  -fopenmp --std=c++11 -DKOKKOS_HAVE_CXX11  -c kokkos_depend.cpp
CC -O -L../../lib/colvars -L../../lib/reax -L../../lib/poems -L../../lib/meam         angle_charmm.o angle_charmm_kokkos.o angle_charmm_omp.o angle_class2.o angle_class2_omp.o angle_cosine.o angle_cosine_delta.o angle_cosine_delta_omp.o angle_cosine_omp.o angle_cosine_periodic.o angle_cosine_periodic_omp.o angle_cosine_shift.o angle_cosine_shift_exp.o angle_cosine_shift_exp_omp.o angle_cosine_shift_omp.o angle_cosine_squared.o angle_cosine_squared_omp.o angle.o angle_dipole.o angle_dipole_omp.o angle_fourier.o angle_fourier_omp.o angle_fourier_simple.o angle_fourier_simple_omp.o angle_harmonic.o angle_harmonic_kokkos.o angle_harmonic_omp.o angle_hybrid.o angle_quartic.o angle_quartic_omp.o angle_sdk.o angle_sdk_omp.o angle_table.o angle_table_omp.o atom.o atom_kokkos.o atom_map.o atom_vec_angle.o atom_vec_angle_kokkos.o atom_vec_atomic.o atom_vec_atomic_kokkos.o atom_vec_body.o atom_vec_bond.o atom_vec_bond_kokkos.o atom_vec_charge.o atom_vec_charge_kokkos.o atom_vec.o atom_vec_dipole.o atom_vec_electron.o atom_vec_ellipsoid.o atom_vec_full.o atom_vec_full_kokkos.o atom_vec_hybrid.o atom_vec_kokkos.o atom_vec_line.o atom_vec_meso.o atom_vec_molecular.o atom_vec_molecular_kokkos.o atom_vec_peri.o atom_vec_sphere.o atom_vec_template.o atom_vec_tri.o balance.o body.o body_nparticle.o bond_class2.o bond_class2_omp.o bond.o bond_fene.o bond_fene_expand.o bond_fene_expand_omp.o bond_fene_kokkos.o bond_fene_omp.o bond_harmonic.o bond_harmonic_kokkos.o bond_harmonic_omp.o bond_harmonic_shift.o bond_harmonic_shift_cut.o bond_harmonic_shift_cut_omp.o bond_harmonic_shift_omp.o bond_hybrid.o bond_morse.o bond_morse_omp.o bond_nonlinear.o bond_nonlinear_omp.o bond_quartic.o bond_quartic_omp.o bond_table.o bond_table_omp.o change_box.o citeme.o colvarproxy_lammps.o comm_brick.o comm.o comm_kokkos.o comm_tiled.o compute_ackland_atom.o compute_angle_local.o compute_angmom_chunk.o compute_basal_atom.o compute_body_local.o compute_bond_local.o compute_centro_atom.o compute_chunk_atom.o compute_cluster_atom.o compute_cna_atom.o compute_com_chunk.o compute_com.o compute_contact_atom.o compute_coord_atom.o compute.o compute_damage_atom.o compute_dihedral_local.o compute_dilatation_atom.o compute_displace_atom.o compute_erotate_asphere.o compute_erotate_rigid.o compute_erotate_sphere_atom.o compute_erotate_sphere.o compute_event_displace.o compute_fep.o compute_group_group.o compute_gyration_chunk.o compute_gyration.o compute_heat_flux.o compute_improper_local.o compute_inertia_chunk.o compute_ke_atom.o compute_ke_atom_eff.o compute_ke.o compute_ke_eff.o compute_ke_rigid.o compute_meso_e_atom.o compute_meso_rho_atom.o compute_meso_t_atom.o compute_msd_chunk.o compute_msd.o compute_msd_nongauss.o compute_omega_chunk.o compute_pair.o compute_pair_local.o compute_pe_atom.o compute_pe.o compute_plasticity_atom.o compute_pressure.o compute_property_atom.o compute_property_chunk.o compute_property_local.o compute_rdf.o compute_reduce.o compute_reduce_region.o compute_slice.o compute_sna_atom.o compute_snad_atom.o compute_snav_atom.o compute_spec_atom.o compute_stress_atom.o compute_temp_asphere.o compute_temp_chunk.o compute_temp_com.o compute_temp.o compute_temp_cs.o compute_temp_deform.o compute_temp_deform_eff.o compute_temp_eff.o compute_temp_partial.o compute_temp_profile.o compute_temp_ramp.o compute_temp_region.o compute_temp_region_eff.o compute_temp_rotate.o compute_temp_sphere.o compute_ti.o compute_torque_chunk.o compute_vacf.o compute_vcm_chunk.o create_atoms.o create_bonds.o create_box.o delete_atoms.o delete_bonds.o dihedral_charmm.o dihedral_charmm_kokkos.o dihedral_charmm_omp.o dihedral_class2.o dihedral_class2_omp.o dihedral_cosine_shift_exp.o dihedral_cosine_shift_exp_omp.o dihedral.o dihedral_fourier.o dihedral_fourier_omp.o dihedral_harmonic.o dihedral_harmonic_omp.o dihedral_helix.o dihedral_helix_omp.o dihedral_hybrid.o dihedral_multi_harmonic.o dihedral_multi_harmonic_omp.o dihedral_nharmonic.o dihedral_nharmonic_omp.o dihedral_opls.o dihedral_opls_kokkos.o dihedral_opls_omp.o dihedral_quadratic.o dihedral_quadratic_omp.o dihedral_table.o dihedral_table_omp.o displace_atoms.o domain.o domain_kokkos.o domain_omp.o dump_atom.o dump_atom_mpiio.o dump_cfg.o dump_cfg_mpiio.o dump.o dump_custom.o dump_custom_mpiio.o dump_dcd.o dump_image.o dump_local.o dump_movie.o dump_xtc.o dump_xyz.o dump_xyz_mpiio.o error.o ewald.o ewald_disp.o ewald_omp.o fft3d.o fft3d_wrap.o finish.o fix_adapt.o fix_adapt_fep.o fix_addforce.o fix_addtorque.o fix_append_atoms.o fix_atom_swap.o fix_ave_atom.o fix_ave_chunk.o fix_ave_correlate.o fix_aveforce.o fix_ave_histo.o fix_ave_spatial.o fix_ave_spatial_sphere.o fix_ave_time.o fix_balance.o fix_bond_break.o fix_bond_create.o fix_bond_swap.o fix_box_relax.o fix_colvars.o fix.o fix_deform.o fix_deposit.o fix_drag.o fix_dt_reset.o fix_efield.o fix_enforce2d.o fix_evaporate.o fix_event.o fix_event_prd.o fix_event_tad.o fix_external.o fix_freeze.o fix_gcmc.o fix_gld.o fix_gle.o fix_gravity.o fix_gravity_omp.o fix_group.o fix_heat.o fix_imd.o fix_indent.o fix_intel.o fix_ipi.o fix_langevin.o fix_langevin_eff.o fix_langevin_kokkos.o fix_lb_fluid.o fix_lb_momentum.o fix_lb_pc.o fix_lb_rigid_pc_sphere.o fix_lb_viscous.o fix_lineforce.o fix_meso.o fix_meso_stationary.o fix_minimize.o fix_momentum.o fix_move.o fix_msst.o fix_neb.o fix_nh_asphere.o fix_nh_asphere_omp.o fix_nh.o fix_nh_eff.o fix_nh_omp.o fix_nh_sphere.o fix_nh_sphere_omp.o fix_nph_asphere.o fix_nph_asphere_omp.o fix_nph.o fix_nph_eff.o fix_nph_omp.o fix_nph_sphere.o fix_nph_sphere_omp.o fix_nphug.o fix_nphug_omp.o fix_npt_asphere.o fix_npt_asphere_omp.o fix_npt.o fix_npt_eff.o fix_npt_omp.o fix_npt_sphere.o fix_npt_sphere_omp.o fix_nve_asphere.o fix_nve_asphere_noforce.o fix_nve_body.o fix_nve.o fix_nve_eff.o fix_nve_kokkos.o fix_nve_limit.o fix_nve_line.o fix_nve_noforce.o fix_nve_omp.o fix_nve_sphere.o fix_nve_sphere_omp.o fix_nve_tri.o fix_nvt_asphere.o fix_nvt_asphere_omp.o fix_nvt.o fix_nvt_eff.o fix_nvt_omp.o fix_nvt_sllod.o fix_nvt_sllod_eff.o fix_nvt_sllod_omp.o fix_nvt_sphere.o fix_nvt_sphere_omp.o fix_omp.o fix_oneway.o fix_orient_fcc.o fix_peri_neigh.o fix_peri_neigh_omp.o fix_phonon.o fix_pimd.o fix_planeforce.o fix_poems.o fix_pour.o fix_press_berendsen.o fix_print.o fix_property_atom.o fix_qeq_comb.o fix_qeq_comb_omp.o fix_qeq.o fix_qeq_dynamic.o fix_qeq_point.o fix_qeq_reax.o fix_qeq_shielded.o fix_qeq_slater.o fix_rattle.o fix_read_restart.o fix_reax_bonds.o fix_reaxc_bonds.o fix_reax_c.o fix_reaxc_species.o fix_recenter.o fix_respa.o fix_restrain.o fix_rigid.o fix_rigid_nh.o fix_rigid_nh_omp.o fix_rigid_nh_small.o fix_rigid_nph.o fix_rigid_nph_omp.o fix_rigid_nph_small.o fix_rigid_npt.o fix_rigid_npt_omp.o fix_rigid_npt_small.o fix_rigid_nve.o fix_rigid_nve_omp.o fix_rigid_nve_small.o fix_rigid_nvt.o fix_rigid_nvt_omp.o fix_rigid_nvt_small.o fix_rigid_omp.o fix_rigid_small.o fix_rigid_small_omp.o fix_setforce.o fix_shake.o fix_shear_history.o fix_shear_history_omp.o fix_smd.o fix_spring.o fix_spring_rg.o fix_spring_self.o fix_srd.o fix_srp.o fix_store.o fix_store_force.o fix_store_state.o fix_temp_berendsen.o fix_temp_csld.o fix_temp_csvr.o fix_temp_rescale.o fix_temp_rescale_eff.o fix_tfmc.o fix_thermal_conductivity.o fix_ti_rs.o fix_ti_spring.o fix_tmd.o fix_ttm.o fix_ttm_mod.o fix_tune_kspace.o fix_vector.o fix_viscosity.o fix_viscous.o fix_wall_colloid.o fix_wall.o fix_wall_gran.o fix_wall_gran_omp.o fix_wall_harmonic.o fix_wall_lj1043.o fix_wall_lj126.o fix_wall_lj93.o fix_wall_piston.o fix_wall_reflect.o fix_wall_region.o fix_wall_srd.o force.o gridcomm.o group.o group_ndx.o image.o improper_class2.o improper_class2_omp.o improper_cossq.o improper_cossq_omp.o improper.o improper_cvff.o improper_cvff_omp.o improper_fourier.o improper_fourier_omp.o improper_harmonic.o improper_harmonic_kokkos.o improper_harmonic_omp.o improper_hybrid.o improper_ring.o improper_ring_omp.o improper_umbrella.o improper_umbrella_omp.o input.o integrate.o intel_buffers.o irregular.o kokkos.o kspace.o lammps.o lattice.o library.o main.o math_extra.o memory.o min_cg.o min.o min_fire.o min_hftn.o minimize.o min_linesearch.o min_quickmin.o min_sd.o modify.o modify_kokkos.o molecule.o msm_cg.o msm_cg_omp.o msm.o msm_omp.o neb.o neigh_bond.o neigh_bond_kokkos.o neighbor.o neighbor_kokkos.o neigh_derive.o neigh_derive_omp.o neigh_full.o neigh_full_omp.o neigh_gran.o neigh_gran_omp.o neigh_half_bin.o neigh_half_bin_intel.o neigh_half_bin_omp.o neigh_half_multi.o neigh_half_multi_omp.o neigh_half_nsq.o neigh_half_nsq_omp.o neigh_list.o neigh_list_kokkos.o neigh_request.o neigh_respa.o neigh_respa_omp.o neigh_stencil.o output.o pair_adp.o pair_adp_omp.o pair_airebo.o pair_airebo_omp.o pair_beck.o pair_beck_omp.o pair_body.o pair_bop.o pair_born_coul_long.o pair_born_coul_long_cs.o pair_born_coul_long_omp.o pair_born_coul_msm.o pair_born_coul_msm_omp.o pair_born_coul_wolf.o pair_born_coul_wolf_omp.o pair_born.o pair_born_omp.o pair_brownian.o pair_brownian_omp.o pair_brownian_poly.o pair_brownian_poly_omp.o pair_buck_coul_cut.o pair_buck_coul_cut_kokkos.o pair_buck_coul_cut_omp.o pair_buck_coul_long.o pair_buck_coul_long_cs.o pair_buck_coul_long_kokkos.o pair_buck_coul_long_omp.o pair_buck_coul_msm.o pair_buck_coul_msm_omp.o pair_buck.o pair_buck_kokkos.o pair_buck_long_coul_long.o pair_buck_long_coul_long_omp.o pair_buck_omp.o pair_cdeam.o pair_cdeam_omp.o pair_colloid.o pair_colloid_omp.o pair_comb3.o pair_comb.o pair_comb_omp.o pair_coul_cut.o pair_coul_cut_kokkos.o pair_coul_cut_omp.o pair_coul_cut_soft.o pair_coul_cut_soft_omp.o pair_coul_debye.o pair_coul_debye_kokkos.o pair_coul_debye_omp.o pair_coul_diel.o pair_coul_diel_omp.o pair_coul_dsf.o pair_coul_dsf_kokkos.o pair_coul_dsf_omp.o pair_coul_long.o pair_coul_long_kokkos.o pair_coul_long_omp.o pair_coul_long_soft.o pair_coul_long_soft_omp.o pair_coul_msm.o pair_coul_msm_omp.o pair_coul_streitz.o pair_coul_wolf.o pair_coul_wolf_kokkos.o pair_coul_wolf_omp.o pair.o pair_dpd.o pair_dpd_omp.o pair_dpd_tstat.o pair_dpd_tstat_omp.o pair_dsmc.o pair_eam_alloy.o pair_eam_alloy_kokkos.o pair_eam_alloy_omp.o pair_eam_alloy_opt.o pair_eam.o pair_eam_fs.o pair_eam_fs_kokkos.o pair_eam_fs_omp.o pair_eam_fs_opt.o pair_eam_kokkos.o pair_eam_omp.o pair_eam_opt.o pair_edip.o pair_edip_omp.o pair_eff_cut.o pair_eim.o pair_eim_omp.o pair_gauss.o pair_gauss_cut.o pair_gauss_cut_omp.o pair_gauss_omp.o pair_gayberne.o pair_gayberne_intel.o pair_gayberne_omp.o pair_gran_hertz_history.o pair_gran_hertz_history_omp.o pair_gran_hooke.o pair_gran_hooke_history.o pair_gran_hooke_history_omp.o pair_gran_hooke_omp.o pair_hbond_dreiding_lj.o pair_hbond_dreiding_lj_omp.o pair_hbond_dreiding_morse.o pair_hbond_dreiding_morse_omp.o pair_hybrid.o pair_hybrid_overlay.o pair_lcbop.o pair_line_lj.o pair_line_lj_omp.o pair_list.o pair_lj96_cut.o pair_lj96_cut_omp.o pair_lj_charmm_coul_charmm.o pair_lj_charmm_coul_charmm_implicit.o pair_lj_charmm_coul_charmm_implicit_kokkos.o pair_lj_charmm_coul_charmm_implicit_omp.o pair_lj_charmm_coul_charmm_kokkos.o pair_lj_charmm_coul_charmm_omp.o pair_lj_charmm_coul_long.o pair_lj_charmm_coul_long_intel.o pair_lj_charmm_coul_long_kokkos.o pair_lj_charmm_coul_long_omp.o pair_lj_charmm_coul_long_opt.o pair_lj_charmm_coul_long_soft.o pair_lj_charmm_coul_long_soft_omp.o pair_lj_charmm_coul_msm.o pair_lj_charmm_coul_msm_omp.o pair_lj_class2_coul_cut.o pair_lj_class2_coul_cut_kokkos.o pair_lj_class2_coul_cut_omp.o pair_lj_class2_coul_long.o pair_lj_class2_coul_long_kokkos.o pair_lj_class2_coul_long_omp.o pair_lj_class2.o pair_lj_class2_kokkos.o pair_lj_class2_omp.o pair_lj_cubic.o pair_lj_cubic_omp.o pair_lj_cut_coul_cut.o pair_lj_cut_coul_cut_kokkos.o pair_lj_cut_coul_cut_omp.o pair_lj_cut_coul_cut_soft.o pair_lj_cut_coul_cut_soft_omp.o pair_lj_cut_coul_debye.o pair_lj_cut_coul_debye_kokkos.o pair_lj_cut_coul_debye_omp.o pair_lj_cut_coul_dsf.o pair_lj_cut_coul_dsf_kokkos.o pair_lj_cut_coul_dsf_omp.o pair_lj_cut_coul_long.o pair_lj_cut_coul_long_intel.o pair_lj_cut_coul_long_kokkos.o pair_lj_cut_coul_long_omp.o pair_lj_cut_coul_long_opt.o pair_lj_cut_coul_long_soft.o pair_lj_cut_coul_long_soft_omp.o pair_lj_cut_coul_msm.o pair_lj_cut_coul_msm_omp.o pair_lj_cut.o pair_lj_cut_dipole_cut.o pair_lj_cut_dipole_cut_omp.o pair_lj_cut_dipole_long.o pair_lj_cut_intel.o pair_lj_cut_kokkos.o pair_lj_cut_omp.o pair_lj_cut_opt.o pair_lj_cut_soft.o pair_lj_cut_soft_omp.o pair_lj_cut_tip4p_cut.o pair_lj_cut_tip4p_cut_omp.o pair_lj_cut_tip4p_long.o pair_lj_cut_tip4p_long_omp.o pair_lj_cut_tip4p_long_opt.o pair_lj_cut_tip4p_long_soft.o pair_lj_cut_tip4p_long_soft_omp.o pair_lj_expand.o pair_lj_expand_kokkos.o pair_lj_expand_omp.o pair_lj_gromacs_coul_gromacs.o pair_lj_gromacs_coul_gromacs_kokkos.o pair_lj_gromacs_coul_gromacs_omp.o pair_lj_gromacs.o pair_lj_gromacs_kokkos.o pair_lj_gromacs_omp.o pair_lj_long_coul_long.o pair_lj_long_coul_long_omp.o pair_lj_long_coul_long_opt.o pair_lj_long_dipole_long.o pair_lj_long_tip4p_long.o pair_lj_long_tip4p_long_omp.o pair_lj_sdk_coul_long.o pair_lj_sdk_coul_long_omp.o pair_lj_sdk_coul_msm.o pair_lj_sdk_coul_msm_omp.o pair_lj_sdk.o pair_lj_sdk_kokkos.o pair_lj_sdk_omp.o pair_lj_sf.o pair_lj_sf_dipole_sf.o pair_lj_sf_dipole_sf_omp.o pair_lj_sf_omp.o pair_lj_smooth.o pair_lj_smooth_linear.o pair_lj_smooth_linear_omp.o pair_lj_smooth_omp.o pair_lubricate.o pair_lubricate_omp.o pair_lubricate_poly.o pair_lubricate_poly_omp.o pair_lubricateU.o pair_lubricateU_poly.o pair_meam.o pair_meam_spline.o pair_meam_spline_omp.o pair_meam_sw_spline.o pair_mie_cut.o pair_morse.o pair_morse_omp.o pair_morse_opt.o pair_nb3b_harmonic.o pair_nb3b_harmonic_omp.o pair_nm_cut_coul_cut.o pair_nm_cut_coul_cut_omp.o pair_nm_cut_coul_long.o pair_nm_cut_coul_long_omp.o pair_nm_cut.o pair_nm_cut_omp.o pair_peri_eps.o pair_peri_lps.o pair_peri_lps_omp.o pair_peri_pmb.o pair_peri_pmb_omp.o pair_peri_ves.o pair_reax_c.o pair_reax.o pair_rebo.o pair_rebo_omp.o pair_resquared.o pair_resquared_omp.o pair_snap.o pair_soft.o pair_soft_omp.o pair_sph_heatconduction.o pair_sph_idealgas.o pair_sph_lj.o pair_sph_rhosum.o pair_sph_taitwater.o pair_sph_taitwater_morris.o pair_srp.o pair_sw.o pair_sw_intel.o pair_sw_kokkos.o pair_sw_omp.o pair_table.o pair_table_kokkos.o pair_table_omp.o pair_tersoff.o pair_tersoff_kokkos.o pair_tersoff_mod.o pair_tersoff_mod_kokkos.o pair_tersoff_mod_omp.o pair_tersoff_omp.o pair_tersoff_table.o pair_tersoff_table_omp.o pair_tersoff_zbl.o pair_tersoff_zbl_kokkos.o pair_tersoff_zbl_omp.o pair_tip4p_cut.o pair_tip4p_cut_omp.o pair_tip4p_long.o pair_tip4p_long_omp.o pair_tip4p_long_soft.o pair_tip4p_long_soft_omp.o pair_tri_lj.o pair_tri_lj_omp.o pair_yukawa_colloid.o pair_yukawa_colloid_omp.o pair_yukawa.o pair_yukawa_omp.o pair_zbl.o pair_zbl_omp.o pppm_cg.o pppm_cg_omp.o pppm.o pppm_disp.o pppm_disp_omp.o pppm_disp_tip4p.o pppm_disp_tip4p_omp.o pppm_omp.o pppm_stagger.o pppm_tip4p.o pppm_tip4p_omp.o prd.o procmap.o random_mars.o random_park.o rcb.o read_data.o read_dump.o reader.o reader_native.o reader_xyz.o read_restart.o reaxc_allocate.o reaxc_bond_orders.o reaxc_bonds.o reaxc_control.o reaxc_ffield.o reaxc_forces.o reaxc_hydrogen_bonds.o reaxc_init_md.o reaxc_io_tools.o reaxc_list.o reaxc_lookup.o reaxc_multi_body.o reaxc_nonbonded.o reaxc_reset_tools.o reaxc_system_props.o reaxc_tool_box.o reaxc_torsion_angles.o reaxc_traj.o reaxc_valence_angles.o reaxc_vector.o region_block.o region_cone.o region.o region_cylinder.o region_intersect.o region_plane.o region_prism.o region_sphere.o region_union.o remap.o remap_wrap.o replicate.o rerun.o respa.o respa_omp.o restart_mpiio.o run.o set.o sna.o special.o tad.o temper.o thermo.o thr_data.o thr_omp.o timer.o universe.o update.o variable.o velocity.o verlet.o verlet_intel.o verlet_kokkos.o verlet_split.o verlet_split_intel.o write_data.o write_dump.o write_restart.o xdr_compat.o kokkos_depend.o -lcolvars -lreax -lpoems -lmeam -lkokkoscore      -lgfortran -lgfortran -fopenmp -L./ libkokkoscore.a -lpthread  -lquadmath -o ../lmp_xe6
size ../lmp_xe6
   text	   data	    bss	    dec	    hex	filename
26981644	 266248	1612667304	1639915196	61bf1ebc	../lmp_xe6
make[1]: Leaving directory `/mnt/c/scratch/system/bwjenkins/tests/lammps/15May15/cle5.2_gnu4.9.3/lammps-15May15/src/Obj_xe6'
  if [ $? -ne 0 ] ; then
    echo "$PACKAGE make failed"
    exit 1
  fi

mkdir $SW_BLDDIR/bin
cp lmp_xe6  ${SW_BLDDIR}/bin

cd ../

############################### if this far, return 0
exit 0
['/scratch/system/bwjenkins/tests/lammps/15May15']
/scratch/system/bwjenkins/tests/lammps/15May15/cle5.2_gnu4.9.3/rebuild : passed (0)

[SSH] completed
[SSH] exit-status: 0

[SSH] script:
PATH="/sw/tools/bin:/sw/tools/bin:$PATH"
SW_CONFIG="/scratch/system/bwjenkins/sw_config"
PYTHONPATH="/sw/tools/bin:/sw/tools/bin:$PYTHONPATH"
SW_ROOT="/scratch/system/bwjenkins/tests"
SW_WORKDIR="/scratch/system/bwjenkins/sw_workdir"

echo $PATH $SW_CONFIG $PYTHONPATH $SW_WORKDIR > /dev/null
export SW_CONFIG=$SW_CONFIG
export SW_WORKDIR=$SW_WORKDIR
# added by tbouvet 1 line
#export PATH=/sw/tools/bin:/opt/torque/6.0.3/bin/:$PATH

cd $SW_ROOT
cd lammps/15May15/cle5.2_gnu4.9.3
# copy remodule with changes to work with gcc/4.9.3 after move to gcc/6.3.0
cp /u/system/bwjenkins/remodule.lammps remodule
# added next line tbouvet
#export SW_BLDDIR=`pwd`
swtestwait


[SSH] executing...
Waiting for job 12516146.bw to start ... 
Waiting for job 12516146.bw to start ... 
Waiting for job 12516146.bw to start ... 
Submitted job 12516146.bw is running. Following .running ... 
12516146.bw
Displaying test.log:
['/scratch/system/bwjenkins/tests/lammps/15May15']
/scratch/system/bwjenkins/tests/lammps/15May15/cle5.2_gnu4.9.3/retest : batch submitted (2)
----------------------------------------
Begin Torque Prologue on nid25352
at Thu Aug 12 08:58:13 CDT 2021
Job Id:			12516146.bw
Username:		bwjenkins
Group:			BW_System
Job name:		lammps.rhodo
Requested resources:	nodes=1:ppn=32,walltime=00:10:00,neednodes=1:ppn=32
Queue:			normal
Account:		jnc
End Torque Prologue:  0.127 elapsed
----------------------------------------




cd $PBS_O_WORKDIR

echo unverified > /scratch/system/bwjenkins/tests/lammps/15May15/cle5.2_gnu4.9.3/status
chmod g+w /scratch/system/bwjenkins/tests/lammps/15May15/cle5.2_gnu4.9.3/status


LAMMPS_BIN=/scratch/system/bwjenkins/tests/lammps/15May15/cle5.2_gnu4.9.3/bin/lmp_xe6
aprun -n 4 $LAMMPS_BIN -in in.rhodo.scaled
LAMMPS (15 May 2015)
WARNING: OMP_NUM_THREADS environment is not set. (../comm.cpp:89)
  using 1 OpenMP thread(s) per MPI task
Reading data file ...
  orthogonal box = (-27.5 -38.5 -36.3646) to (27.5 38.5 36.3615)
  1 by 2 by 2 MPI processor grid
  reading atoms ...
  32000 atoms
  reading velocities ...
  32000 velocities
  scanning bonds ...
  4 = max bonds/atom
  scanning angles ...
  8 = max angles/atom
  scanning dihedrals ...
  18 = max dihedrals/atom
  scanning impropers ...
  2 = max impropers/atom
  reading bonds ...
  27723 bonds
  reading angles ...
  40467 angles
  reading dihedrals ...
  56829 dihedrals
  reading impropers ...
  1034 impropers
Finding 1-2 1-3 1-4 neighbors ...
 Special bond factors lj:   0          0          0         
 Special bond factors coul: 0          0          0         
  4 = max # of 1-2 neighbors
  12 = max # of 1-3 neighbors
  24 = max # of 1-4 neighbors
  26 = max # of special neighbors
Replicating atoms ...
  orthogonal box = (-27.5 -38.5 -36.3646) to (27.5 38.5 36.3615)
  1 by 2 by 2 MPI processor grid
  32000 atoms
  27723 bonds
  40467 angles
  56829 dihedrals
  1034 impropers
Finding 1-2 1-3 1-4 neighbors ...
 Special bond factors lj:   0          0          0         
 Special bond factors coul: 0          0          0         
  4 = max # of 1-2 neighbors
  12 = max # of 1-3 neighbors
  24 = max # of 1-4 neighbors
  26 = max # of special neighbors
Finding SHAKE clusters ...
  1617 = # of size 2 clusters
  3633 = # of size 3 clusters
  747 = # of size 4 clusters
  4233 = # of frozen angles
PPPM initialization ...
  G vector (1/distance) = 0.248835
  grid = 25 32 32
  stencil order = 5
  estimated absolute RMS force accuracy = 0.0355478
  estimated relative force accuracy = 0.000107051
  using double precision FFTs
  3d grid and FFT values/proc = 13230 6400
Neighbor list info ...
  1 neighbor list requests
  update every 1 steps, delay 5 steps, check yes
  master list distance cutoff = 12
Setting up run ...
Memory usage per processor = 37.5069 Mbytes
---------------- Step        0 ----- CPU =      0.0000 (sec) ----------------
TotEng   =    -25356.2064 KinEng   =     21444.8313 Temp     =       299.0397 
PotEng   =    -46801.0377 E_bond   =      2537.9940 E_angle  =     10921.3742 
E_dihed  =      5211.7865 E_impro  =       213.5116 E_vdwl   =     -2307.8634 
E_coul   =    207025.8927 E_long   =   -270403.7333 Press    =      -142.6035 
Volume   =    307995.0335 
---------------- Step       50 ----- CPU =      9.6510 (sec) ----------------
TotEng   =    -25330.0828 KinEng   =     21501.0029 Temp     =       299.8230 
PotEng   =    -46831.0857 E_bond   =      2471.7004 E_angle  =     10836.4975 
E_dihed  =      5239.6299 E_impro  =       227.1218 E_vdwl   =     -1993.2754 
E_coul   =    206797.6332 E_long   =   -270410.3930 Press    =       237.6701 
Volume   =    308031.5639 
---------------- Step      100 ----- CPU =     19.7931 (sec) ----------------
TotEng   =    -25290.7591 KinEng   =     21592.0117 Temp     =       301.0920 
PotEng   =    -46882.7708 E_bond   =      2567.9807 E_angle  =     10781.9408 
E_dihed  =      5198.7432 E_impro  =       216.7834 E_vdwl   =     -1902.4783 
E_coul   =    206659.2327 E_long   =   -270404.9733 Press    =         6.9961 
Volume   =    308133.9888 
Loop time of 19.7931 on 4 procs (4 MPI x 1 OpenMP) for 100 steps with 32000 atoms

Pair  time (%) = 14.2478 (71.9834)
Bond  time (%) = 0.490734 (2.47931)
Kspce time (%) = 1.99352 (10.0718)
Neigh time (%) = 2.36955 (11.9716)
Comm  time (%) = 0.14648 (0.740056)
Outpt time (%) = 0.00023669 (0.00119582)
Other time (%) = 0.544844 (2.75269)

Nlocal:    8000 ave 8143 max 7933 min
Histogram: 1 2 0 0 0 0 0 0 0 1
Nghost:    22733.5 ave 22769 max 22693 min
Histogram: 1 0 0 0 0 2 0 0 0 1
Neighs:    3.00703e+06 ave 3.0975e+06 max 2.96493e+06 min
Histogram: 1 2 0 0 0 0 0 0 0 1

Total # of neighbors = 12028107
Ave neighs/atom = 375.878
Ave special neighs/atom = 7.43187
Neighbor list builds = 11
Dangerous builds = 0
Application 102682693 resources: utime ~85s, stime ~1s, Rss ~53432, inblocks ~66250, outblocks ~113482

logsize=`wc -c log.lammps | cut -f 1 -d " "`
wc -c log.lammps | cut -f 1 -d " "
if [[ $logsize -ne 0 ]]; then
  grep "Loop time of" log.lammps
  if [[ $? -ne 0 ]]; then
    echo unverified > /scratch/system/bwjenkins/tests/lammps/15May15/cle5.2_gnu4.9.3/status 
  else
    echo verified > /scratch/system/bwjenkins/tests/lammps/15May15/cle5.2_gnu4.9.3/status
  fi
else
  echo unverified > /scratch/system/bwjenkins/tests/lammps/15May15/cle5.2_gnu4.9.3/status
fi
Loop time of 19.7931 on 4 procs (4 MPI x 1 OpenMP) for 100 steps with 32000 atoms

grep "Loop time of" log.lammps | awk '{print "YVALUE=",$4}' | sed 's/ //g'   > /scratch/system/bwjenkins/tests/lammps/15May15/cle5.2_gnu4.9.3/cputime
grep "Memory" log.lammps | awk '{print "YVALUE=",$6}' | sed 's/ //g'   > /scratch/system/bwjenkins/tests/lammps/15May15/cle5.2_gnu4.9.3/memory
  
JOBID=`echo $PBS_JOBID | cut -d "." -f1 `
echo $PBS_JOBID | cut -d "." -f1 

chmod 775 /scratch/system/bwjenkins/tests/lammps/15May15/cle5.2_gnu4.9.3/status
rm /scratch/system/bwjenkins/tests/lammps/15May15/cle5.2_gnu4.9.3/.running

cat ${JOBID}* >> /scratch/system/bwjenkins/tests/lammps/15May15/cle5.2_gnu4.9.3/test.log
LAMMPS (15 May 2015)
WARNING: OMP_NUM_THREADS environment is not set. (../comm.cpp:89)
  using 1 OpenMP thread(s) per MPI task
# Rhodopsin model

variable	x index 1
variable	y index 1
variable	z index 1

units           real
neigh_modify    delay 5 every 1

atom_style      full
atom_modify	map hash
bond_style      harmonic
angle_style     charmm
dihedral_style  charmm
improper_style  harmonic
pair_style      lj/charmm/coul/long 8.0 10.0
pair_modify     mix arithmetic
kspace_style    pppm 1e-4

read_data       data.rhodo
  orthogonal box = (-27.5 -38.5 -36.3646) to (27.5 38.5 36.3615)
  1 by 2 by 2 MPI processor grid
  reading atoms ...
  32000 atoms
  reading velocities ...
  32000 velocities
  scanning bonds ...
  4 = max bonds/atom
  scanning angles ...
  8 = max angles/atom
  scanning dihedrals ...
  18 = max dihedrals/atom
  scanning impropers ...
  2 = max impropers/atom
  reading bonds ...
  27723 bonds
  reading angles ...
  40467 angles
  reading dihedrals ...
  56829 dihedrals
  reading impropers ...
  1034 impropers
  4 = max # of 1-2 neighbors
  12 = max # of 1-3 neighbors
  24 = max # of 1-4 neighbors
  26 = max # of special neighbors

replicate	$x $y $z
replicate	1 $y $z
replicate	1 1 $z
replicate	1 1 1
  orthogonal box = (-27.5 -38.5 -36.3646) to (27.5 38.5 36.3615)
  1 by 2 by 2 MPI processor grid
  32000 atoms
  27723 bonds
  40467 angles
  56829 dihedrals
  1034 impropers
  4 = max # of 1-2 neighbors
  12 = max # of 1-3 neighbors
  24 = max # of 1-4 neighbors
  26 = max # of special neighbors

fix             1 all shake 0.0001 5 0 m 1.0 a 232
  1617 = # of size 2 clusters
  3633 = # of size 3 clusters
  747 = # of size 4 clusters
  4233 = # of frozen angles
fix             2 all npt temp 300.0 300.0 100.0 		z 0.0 0.0 1000.0 mtk no pchain 0 tchain 1

special_bonds   charmm

thermo          50
thermo_style    multi
timestep        2.0

run		100
PPPM initialization ...
  G vector (1/distance) = 0.248835
  grid = 25 32 32
  stencil order = 5
  estimated absolute RMS force accuracy = 0.0355478
  estimated relative force accuracy = 0.000107051
  using double precision FFTs
  3d grid and FFT values/proc = 13230 6400
Neighbor list info ...
  1 neighbor list requests
  update every 1 steps, delay 5 steps, check yes
  master list distance cutoff = 12
Memory usage per processor = 37.5069 Mbytes
---------------- Step        0 ----- CPU =      0.0000 (sec) ----------------
TotEng   =    -25356.2064 KinEng   =     21444.8313 Temp     =       299.0397 
PotEng   =    -46801.0377 E_bond   =      2537.9940 E_angle  =     10921.3742 
E_dihed  =      5211.7865 E_impro  =       213.5116 E_vdwl   =     -2307.8634 
E_coul   =    207025.8927 E_long   =   -270403.7333 Press    =      -142.6035 
Volume   =    307995.0335 
---------------- Step       50 ----- CPU =      9.6510 (sec) ----------------
TotEng   =    -25330.0828 KinEng   =     21501.0029 Temp     =       299.8230 
PotEng   =    -46831.0857 E_bond   =      2471.7004 E_angle  =     10836.4975 
E_dihed  =      5239.6299 E_impro  =       227.1218 E_vdwl   =     -1993.2754 
E_coul   =    206797.6332 E_long   =   -270410.3930 Press    =       237.6701 
Volume   =    308031.5639 
---------------- Step      100 ----- CPU =     19.7931 (sec) ----------------
TotEng   =    -25290.7591 KinEng   =     21592.0117 Temp     =       301.0920 
PotEng   =    -46882.7708 E_bond   =      2567.9807 E_angle  =     10781.9408 
E_dihed  =      5198.7432 E_impro  =       216.7834 E_vdwl   =     -1902.4783 
E_coul   =    206659.2327 E_long   =   -270404.9733 Press    =         6.9961 
Volume   =    308133.9888 
Loop time of 19.7931 on 4 procs (4 MPI x 1 OpenMP) for 100 steps with 32000 atoms

Pair  time (%) = 14.2478 (71.9834)
Bond  time (%) = 0.490734 (2.47931)
Kspce time (%) = 1.99352 (10.0718)
Neigh time (%) = 2.36955 (11.9716)
Comm  time (%) = 0.14648 (0.740056)
Outpt time (%) = 0.00023669 (0.00119582)
Other time (%) = 0.544844 (2.75269)

Nlocal:    8000 ave 8143 max 7933 min
Histogram: 1 2 0 0 0 0 0 0 0 1
Nghost:    22733.5 ave 22769 max 22693 min
Histogram: 1 0 0 0 0 2 0 0 0 1
Neighs:    3.00703e+06 ave 3.0975e+06 max 2.96493e+06 min
Histogram: 1 2 0 0 0 0 0 0 0 1

Total # of neighbors = 12028107
Ave neighs/atom = 375.878
Ave special neighs/atom = 7.43187
Neighbor list builds = 11
Dangerous builds = 0
Displaying status file:
verified

[SSH] completed
[SSH] exit-status: 0

[workspace] $ /bin/sh -xe /tmp/jenkins7540904329914805877.sh
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/lammps/15May15/cle5.2_gnu4.9.3/cputime /var/lib/jenkins/jobs/LAMMPSBW/workspace
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/lammps/15May15/cle5.2_gnu4.9.3/memory /var/lib/jenkins/jobs/LAMMPSBW/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/LAMMPSBW/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/LAMMPSBW/workspace/memory
Finished: SUCCESS