diff --git a/src/KOKKOS/pair_meam_kokkos.cpp b/src/KOKKOS/pair_meam_kokkos.cpp index 507c200a59..90e714cefe 100644 --- a/src/KOKKOS/pair_meam_kokkos.cpp +++ b/src/KOKKOS/pair_meam_kokkos.cpp @@ -408,7 +408,7 @@ void PairMEAMKokkos::operator()(TagPairMEAMUnpackForwardComm, const template int PairMEAMKokkos::pack_forward_comm(int n, int *list, double *buf, - int pbc_flag, int *pbc) + int /*pbc_flag*/, int * /*pbc*/) { meam_inst_kk->k_rho0.sync_host(); meam_inst_kk->k_rho1.sync_host(); diff --git a/src/KOKKOS/pair_reaxff_kokkos.cpp b/src/KOKKOS/pair_reaxff_kokkos.cpp index a08d87c2ad..af3ac26663 100644 --- a/src/KOKKOS/pair_reaxff_kokkos.cpp +++ b/src/KOKKOS/pair_reaxff_kokkos.cpp @@ -3238,7 +3238,9 @@ void PairReaxFFKokkos::operator()(TagPairReaxComputeTorsionPreproces const F_FLOAT inv_sin_ijk_rnd = 1.0 / sin_ijk_rnd; const F_FLOAT inv_sin_jil_rnd = 1.0 / sin_jil_rnd; +#ifdef LMP_KOKKOS_GPU #pragma unroll +#endif for (int d = 0; d < 3; d++) { // dcos_omega_di F_FLOAT dcos_omega_dk = ((htra-arg*hnra) * inv_rik) * delik[d] - dellk[d]; diff --git a/unittest/formats/test_dump_atom.cpp b/unittest/formats/test_dump_atom.cpp index 8c24b4c9b0..a62bf12c80 100644 --- a/unittest/formats/test_dump_atom.cpp +++ b/unittest/formats/test_dump_atom.cpp @@ -726,7 +726,7 @@ TEST_F(DumpAtomTest, frequency) values = extract_items(dump_file, "TIMESTEP"); expected = {"0", "5", "10", "15", "20", "25", "30", "10", "20"}; ASSERT_EQ(values.size(), expected.size()); - for (int i = 0; i < expected.size(); ++i) + for (std::size_t i = 0; i < expected.size(); ++i) ASSERT_THAT(values[i], Eq(expected[i])); BEGIN_HIDE_OUTPUT(); @@ -739,7 +739,7 @@ TEST_F(DumpAtomTest, frequency) values = extract_items(dump_file, "TIMESTEP"); expected = {"10", "20", "30"}; ASSERT_EQ(values.size(), expected.size()); - for (int i = 0; i < expected.size(); ++i) + for (std::size_t i = 0; i < expected.size(); ++i) ASSERT_THAT(values[i], Eq(expected[i])); BEGIN_HIDE_OUTPUT(); @@ -753,7 +753,7 @@ TEST_F(DumpAtomTest, frequency) values = extract_items(dump_file, "TIMESTEP"); expected = {"0", "10", "15", "20", "30"}; ASSERT_EQ(values.size(), expected.size()); - for (int i = 0; i < expected.size(); ++i) + for (std::size_t i = 0; i < expected.size(); ++i) ASSERT_THAT(values[i], Eq(expected[i])); delete_file(dump_file); @@ -777,7 +777,7 @@ TEST_F(DumpAtomTest, delay) values = extract_items(dump_file, "TIMESTEP"); expected = {"20", "30", "40", "50"}; ASSERT_EQ(values.size(), expected.size()); - for (int i = 0; i < expected.size(); ++i) + for (std::size_t i = 0; i < expected.size(); ++i) ASSERT_THAT(values[i], Eq(expected[i])); delete_file(dump_file); @@ -808,25 +808,25 @@ TEST_F(DumpAtomTest, colname) values = extract_items(dump_file, "ATOMS id type xs ys zs"); expected = {"1 1 0 0 0", "1 1 0 0 0"}; ASSERT_EQ(values.size(), expected.size()); - for (int i = 0; i < expected.size(); ++i) + for (std::size_t i = 0; i < expected.size(); ++i) ASSERT_THAT(values[i], Eq(expected[i])); values = extract_items(dump_file, "ATOMS AtomID type x-scaled ys z-scaled"); expected = {"1 1 0 0 0"}; ASSERT_EQ(values.size(), expected.size()); - for (int i = 0; i < expected.size(); ++i) + for (std::size_t i = 0; i < expected.size(); ++i) ASSERT_THAT(values[i], Eq(expected[i])); values = extract_items(dump_file, "ATOMS id type x y z ix iy iz"); expected = {"1 1 0 0 0 0 0 0", "1 1 0 0 0 0 0 0"}; ASSERT_EQ(values.size(), expected.size()); - for (int i = 0; i < expected.size(); ++i) + for (std::size_t i = 0; i < expected.size(); ++i) ASSERT_THAT(values[i], Eq(expected[i])); values = extract_items(dump_file, "ATOMS AtomID type X y Z img_x iy iz"); expected = {"1 1 0 0 0 0 0 0"}; ASSERT_EQ(values.size(), expected.size()); - for (int i = 0; i < expected.size(); ++i) + for (std::size_t i = 0; i < expected.size(); ++i) ASSERT_THAT(values[i], Eq(expected[i])); delete_file(dump_file); @@ -848,13 +848,13 @@ TEST_F(DumpAtomTest, units_time) values = extract_items(dump_file, "TIME"); expected = {"0", "0.05", "0.1", "0.15", "0.25", "0.35", "0.45"}; ASSERT_EQ(values.size(), expected.size()); - for (int i = 0; i < expected.size(); ++i) + for (std::size_t i = 0; i < expected.size(); ++i) ASSERT_THAT(values[i], Eq(expected[i])); values = extract_items(dump_file, "UNITS"); expected = {"lj"}; ASSERT_EQ(values.size(), expected.size()); - for (int i = 0; i < expected.size(); ++i) + for (std::size_t i = 0; i < expected.size(); ++i) ASSERT_THAT(values[i], Eq(expected[i])); delete_file(dump_file); @@ -877,7 +877,7 @@ TEST_F(DumpAtomTest, every) values = extract_items(dump_file, "TIMESTEP"); expected = {"0", "10", "20", "25", "30", "35", "40", "50", "60"}; ASSERT_EQ(values.size(), expected.size()); - for (int i = 0; i < expected.size(); ++i) + for (std::size_t i = 0; i < expected.size(); ++i) ASSERT_THAT(values[i], Eq(expected[i])); delete_file(dump_file); @@ -897,7 +897,7 @@ TEST_F(DumpAtomTest, every) values = extract_items(dump_file, "TIMESTEP"); expected = {"1", "4", "25", "60", "70", "100"}; ASSERT_EQ(values.size(), expected.size()); - for (int i = 0; i < expected.size(); ++i) + for (std::size_t i = 0; i < expected.size(); ++i) ASSERT_THAT(values[i], Eq(expected[i])); delete_file(dump_file); @@ -919,7 +919,7 @@ TEST_F(DumpAtomTest, every_time) values = extract_items(dump_file, "TIMESTEP"); expected = {"0", "20", "40", "50", "60"}; ASSERT_EQ(values.size(), expected.size()); - for (int i = 0; i < expected.size(); ++i) + for (std::size_t i = 0; i < expected.size(); ++i) ASSERT_THAT(values[i], Eq(expected[i])); delete_file(dump_file); @@ -940,7 +940,7 @@ TEST_F(DumpAtomTest, header) values = extract_items(dump_file, "TIMESTEP"); expected = {"10", "20", "30", "40"}; ASSERT_EQ(values.size(), expected.size()); - for (int i = 0; i < expected.size(); ++i) + for (std::size_t i = 0; i < expected.size(); ++i) ASSERT_THAT(values[i], Eq(expected[i])); BEGIN_HIDE_OUTPUT();