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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 11903098.bw to start ... 
Submitted job 11903098.bw is running. Following .running ... 
11903098.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 nid25256
at Fri Feb 12 09:01:46 CST 2021
Job Id:			11903098.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:  0.117 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 =      9.6521 (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 =     19.8004 (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 19.8009 on 4 procs (4 MPI x 1 OpenMP) for 100 steps with 32000 atoms

Pair  time (%) = 14.2481 (71.9569)
Bond  time (%) = 0.490703 (2.47819)
Kspce time (%) = 1.99737 (10.0873)
Neigh time (%) = 2.36877 (11.963)
Comm  time (%) = 0.147869 (0.746781)
Outpt time (%) = 0.000403523 (0.00203791)
Other time (%) = 0.547666 (2.76587)

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 97045655 resources: utime ~85s, stime ~2s, Rss ~53428, inblocks ~66246, 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 19.8009 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 =      9.6521 (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 =     19.8004 (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 19.8009 on 4 procs (4 MPI x 1 OpenMP) for 100 steps with 32000 atoms

Pair  time (%) = 14.2481 (71.9569)
Bond  time (%) = 0.490703 (2.47819)
Kspce time (%) = 1.99737 (10.0873)
Neigh time (%) = 2.36877 (11.963)
Comm  time (%) = 0.147869 (0.746781)
Outpt time (%) = 0.000403523 (0.00203791)
Other time (%) = 0.547666 (2.76587)

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/jenkins2105386474425154859.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