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Update Kokkos library in LAMMPS to v3.2

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This commit is contained in:
Stan Moore
2020-08-25 20:21:48 -06:00
parent 450fd12d31
commit 4d90c2b74b
1410 changed files with 19364 additions and 71953 deletions
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29
lib/kokkos/core/perf_test/PerfTestGramSchmidt.cpp
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@ -58,7 +58,7 @@ namespace Test {
// PostProcess : R(j,j) = result ; inv = 1 / result ;
template <class VectorView, class ValueView>
struct InvNorm2 : public Kokkos::DotSingle<VectorView> {
typedef typename Kokkos::DotSingle<VectorView>::value_type value_type;
using value_type = typename Kokkos::DotSingle<VectorView>::value_type;
ValueView Rjj;
ValueView inv;
@ -69,10 +69,7 @@ struct InvNorm2 : public Kokkos::DotSingle<VectorView> {
KOKKOS_INLINE_FUNCTION
void final(value_type& result) const {
#ifndef KOKKOS_ENABLE_HIP // FIXME_HIP
using std::sqrt;
#endif
result = sqrt(result);
result = std::sqrt(result);
Rjj() = result;
inv() = (0 < result) ? 1.0 / result : 0;
}
@ -88,7 +85,7 @@ inline void invnorm2(const VectorView& x, const ValueView& r,
// PostProcess : tmp = - ( R(j,k) = result );
template <class VectorView, class ValueView>
struct DotM : public Kokkos::Dot<VectorView> {
typedef typename Kokkos::Dot<VectorView>::value_type value_type;
using value_type = typename Kokkos::Dot<VectorView>::value_type;
ValueView Rjk;
ValueView tmp;
@ -113,16 +110,16 @@ inline void dot_neg(const VectorView& x, const VectorView& y,
template <typename Scalar, class DeviceType>
struct ModifiedGramSchmidt {
typedef DeviceType execution_space;
typedef typename execution_space::size_type size_type;
using execution_space = DeviceType;
using size_type = typename execution_space::size_type;
typedef Kokkos::View<Scalar**, Kokkos::LayoutLeft, execution_space>
multivector_type;
using multivector_type =
Kokkos::View<Scalar**, Kokkos::LayoutLeft, execution_space>;
typedef Kokkos::View<Scalar*, Kokkos::LayoutLeft, execution_space>
vector_type;
using vector_type =
Kokkos::View<Scalar*, Kokkos::LayoutLeft, execution_space>;
typedef Kokkos::View<Scalar, Kokkos::LayoutLeft, execution_space> value_view;
using value_view = Kokkos::View<Scalar, Kokkos::LayoutLeft, execution_space>;
multivector_type Q;
multivector_type R;
@ -243,9 +240,9 @@ TEST(default_exec, gramschmidt) {
int exp_end = 20;
int num_trials = 5;
if (command_line_num_args() > 1) exp_beg = atoi(command_line_arg(1));
if (command_line_num_args() > 2) exp_end = atoi(command_line_arg(2));
if (command_line_num_args() > 3) num_trials = atoi(command_line_arg(3));
if (command_line_num_args() > 1) exp_beg = std::stoi(command_line_arg(1));
if (command_line_num_args() > 2) exp_end = std::stoi(command_line_arg(2));
if (command_line_num_args() > 3) num_trials = std::stoi(command_line_arg(3));
EXPECT_NO_THROW(run_test_gramschmidt<Kokkos::DefaultExecutionSpace>(
exp_beg, exp_end, num_trials, Kokkos::DefaultExecutionSpace::name()));