diff --git a/src/KOKKOS/fix_deform_kokkos.cpp b/src/KOKKOS/fix_deform_kokkos.cpp index af9c154876..c676d3f26d 100644 --- a/src/KOKKOS/fix_deform_kokkos.cpp +++ b/src/KOKKOS/fix_deform_kokkos.cpp @@ -22,8 +22,23 @@ #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 785763085e..921d469e31 100644 --- a/unittest/formats/test_atom_styles.cpp +++ b/unittest/formats/test_atom_styles.cpp @@ -90,15 +90,10 @@ bool verbose = false; static const double EPSILON = 5.0e-14; - namespace LAMMPS_NS { using ::testing::Eq; -using ::testing::TestWithParam; -using ::testing::Values; -enum ACCELERATOR { PLAIN, KOKKOS_OMP }; - -class AtomStyleTest : public LAMMPSTest, public ::testing::WithParamInterface { +class AtomStyleTest : public LAMMPSTest { protected: static void SetUpTestSuite() { create_molecule_files("h2o.mol", "co2.mol"); } @@ -110,18 +105,15 @@ 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 @@ -269,12 +261,7 @@ struct AtomState { void ASSERT_ATOM_STATE_EQ(Atom *atom, const AtomState &expected) { - 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_THAT(std::string(atom->atom_style), Eq(expected.atom_style)); ASSERT_NE(atom->avec, nullptr); ASSERT_EQ(atom->natoms, expected.natoms); @@ -479,7 +466,7 @@ void ASSERT_ATOM_STATE_EQ(Atom *atom, const AtomState &expected) ASSERT_EQ(atom->map_tag_max, expected.map_tag_max); } -TEST_P(AtomStyleTest, atomic_is_default) +TEST_F(AtomStyleTest, atomic_is_default) { AtomState expected; expected.atom_style = "atomic"; @@ -495,7 +482,7 @@ TEST_P(AtomStyleTest, atomic_is_default) ASSERT_ATOM_STATE_EQ(lmp->atom, expected); } -TEST_P(AtomStyleTest, atomic_after_charge) +TEST_F(AtomStyleTest, atomic_after_charge) { AtomState expected; expected.atom_style = "atomic"; @@ -516,7 +503,7 @@ TEST_P(AtomStyleTest, atomic_after_charge) ASSERT_ATOM_STATE_EQ(lmp->atom, expected); } -TEST_P(AtomStyleTest, atomic) +TEST_F(AtomStyleTest, atomic) { BEGIN_HIDE_OUTPUT(); command("atom_modify map hash"); @@ -706,9 +693,7 @@ TEST_P(AtomStyleTest, atomic) EXPECT_NEAR(x[GETIDX(16)][2], 7.9, EPSILON); } -/* - -TEST_P(AtomStyleTest, no_tags) +TEST_F(AtomStyleTest, no_tags) { BEGIN_HIDE_OUTPUT(); command("atom_modify id no"); @@ -5391,14 +5376,8 @@ 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); @@ -5419,5 +5398,3 @@ int main(int argc, char **argv) MPI_Finalize(); return rv; } - -