Skipping 964 KB..
Full Log../../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 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Waiting for job 12258918.bw to start ...
Submitted job 12258918.bw is running. Following .running ...
12258918.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 nid27561
at Wed May 26 09:10:00 CDT 2021
Job Id: 12258918.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: 0.114 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 = 9.6539 (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 = 19.7971 (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 19.7972 on 4 procs (4 MPI x 1 OpenMP) for 100 steps with 32000 atoms
Pair time (%) = 14.2426 (71.9425)
Bond time (%) = 0.490916 (2.47973)
Kspce time (%) = 1.99643 (10.0844)
Neigh time (%) = 2.36993 (11.9711)
Comm time (%) = 0.148341 (0.749307)
Outpt time (%) = 0.000242114 (0.00122297)
Other time (%) = 0.548717 (2.7717)
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 100579388 resources: utime ~85s, stime ~1s, 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 19.7972 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 = 9.6539 (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 = 19.7971 (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 19.7972 on 4 procs (4 MPI x 1 OpenMP) for 100 steps with 32000 atoms
Pair time (%) = 14.2426 (71.9425)
Bond time (%) = 0.490916 (2.47973)
Kspce time (%) = 1.99643 (10.0844)
Neigh time (%) = 2.36993 (11.9711)
Comm time (%) = 0.148341 (0.749307)
Outpt time (%) = 0.000242114 (0.00122297)
Other time (%) = 0.548717 (2.7717)
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/jenkins9117700942467321396.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
![[Jenkins]](/static/755cd4af/images/svgs/logo.svg){kind=logo}
