From 83ce042a8648ffbfcc25959d67b7a0e7d2b69ec0 Mon Sep 17 00:00:00 2001 From: alphataubio Date: Tue, 6 Aug 2024 11:25:47 -0400 Subject: [PATCH] remove include/using/enum's no longer needed --- src/KOKKOS/fix_deform_kokkos.cpp | 15 ----------- unittest/formats/test_atom_styles.cpp | 39 +++++++++++++++++++++------ 2 files changed, 31 insertions(+), 23 deletions(-) diff --git a/src/KOKKOS/fix_deform_kokkos.cpp b/src/KOKKOS/fix_deform_kokkos.cpp index c676d3f26d..af9c154876 100644 --- a/src/KOKKOS/fix_deform_kokkos.cpp +++ b/src/KOKKOS/fix_deform_kokkos.cpp @@ -22,23 +22,8 @@ #include "atom_kokkos.h" #include "atom_masks.h" #include "domain_kokkos.h" -#include "force.h" -#include "input.h" -#include "irregular.h" -#include "kspace.h" -#include "math_const.h" -#include "modify.h" -#include "update.h" -#include "variable.h" - -#include using namespace LAMMPS_NS; -using namespace FixConst; -using namespace MathConst; - -enum{NONE=0,FINAL,DELTA,SCALE,VEL,ERATE,TRATE,VOLUME,WIGGLE,VARIABLE}; -enum{ONE_FROM_ONE,ONE_FROM_TWO,TWO_FROM_ONE}; /* ---------------------------------------------------------------------- */ diff --git a/unittest/formats/test_atom_styles.cpp b/unittest/formats/test_atom_styles.cpp index 921d469e31..785763085e 100644 --- a/unittest/formats/test_atom_styles.cpp +++ b/unittest/formats/test_atom_styles.cpp @@ -90,10 +90,15 @@ bool verbose = false; static const double EPSILON = 5.0e-14; + namespace LAMMPS_NS { using ::testing::Eq; +using ::testing::TestWithParam; +using ::testing::Values; -class AtomStyleTest : public LAMMPSTest { +enum ACCELERATOR { PLAIN, KOKKOS_OMP }; + +class AtomStyleTest : public LAMMPSTest, public ::testing::WithParamInterface { protected: static void SetUpTestSuite() { create_molecule_files("h2o.mol", "co2.mol"); } @@ -105,15 +110,18 @@ protected: void SetUp() override { + if( GetParam() == KOKKOS_OMP ) + args = {"-k","on","t","4","-sf","kk"}; + testbinary = "AtomStyleTest"; LAMMPSTest::SetUp(); ASSERT_NE(lmp, nullptr); - BEGIN_HIDE_OUTPUT(); + //BEGIN_HIDE_OUTPUT(); command("units real"); command("dimension 3"); command("pair_style zero 4.0"); command("region box block -4 4 -4 4 -4 4"); - END_HIDE_OUTPUT(); + //END_HIDE_OUTPUT(); } void TearDown() override @@ -261,7 +269,12 @@ struct AtomState { void ASSERT_ATOM_STATE_EQ(Atom *atom, const AtomState &expected) { - ASSERT_THAT(std::string(atom->atom_style), Eq(expected.atom_style)); + std::string suffix = "/kk"; + + if( GetParam() == KOKKOS_OMP ) + ASSERT_THAT(std::string(atom->atom_style), Eq(expected.atom_style.append(suffix))); + else + ASSERT_THAT(std::string(atom->atom_style), Eq(expected.atom_style)); ASSERT_NE(atom->avec, nullptr); ASSERT_EQ(atom->natoms, expected.natoms); @@ -466,7 +479,7 @@ void ASSERT_ATOM_STATE_EQ(Atom *atom, const AtomState &expected) ASSERT_EQ(atom->map_tag_max, expected.map_tag_max); } -TEST_F(AtomStyleTest, atomic_is_default) +TEST_P(AtomStyleTest, atomic_is_default) { AtomState expected; expected.atom_style = "atomic"; @@ -482,7 +495,7 @@ TEST_F(AtomStyleTest, atomic_is_default) ASSERT_ATOM_STATE_EQ(lmp->atom, expected); } -TEST_F(AtomStyleTest, atomic_after_charge) +TEST_P(AtomStyleTest, atomic_after_charge) { AtomState expected; expected.atom_style = "atomic"; @@ -503,7 +516,7 @@ TEST_F(AtomStyleTest, atomic_after_charge) ASSERT_ATOM_STATE_EQ(lmp->atom, expected); } -TEST_F(AtomStyleTest, atomic) +TEST_P(AtomStyleTest, atomic) { BEGIN_HIDE_OUTPUT(); command("atom_modify map hash"); @@ -693,7 +706,9 @@ TEST_F(AtomStyleTest, atomic) EXPECT_NEAR(x[GETIDX(16)][2], 7.9, EPSILON); } -TEST_F(AtomStyleTest, no_tags) +/* + +TEST_P(AtomStyleTest, no_tags) { BEGIN_HIDE_OUTPUT(); command("atom_modify id no"); @@ -5376,8 +5391,14 @@ TEST_F(AtomStyleTest, oxdna) END_HIDE_OUTPUT(); } +*/ + +INSTANTIATE_TEST_SUITE_P( TestSuite, AtomStyleTest, + ::testing::Values(PLAIN, KOKKOS_OMP) ); + } // namespace LAMMPS_NS + int main(int argc, char **argv) { MPI_Init(&argc, &argv); @@ -5398,3 +5419,5 @@ int main(int argc, char **argv) MPI_Finalize(); return rv; } + +