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Merge pull request #3307 from lammps/fix-mdi-aimd-enhance

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MDI package enhancements
This commit is contained in:
Axel Kohlmeyer
2022-07-01 20:48:40 -04:00
committed by GitHub
parent f245a4313e e34e9aca48
commit 146b00c395
150 changed files with 35538 additions and 2429 deletions
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6
unittest/cplusplus/test_lammps_class.cpp
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@ -83,8 +83,8 @@ TEST_F(LAMMPS_plain, InitMembers)
EXPECT_STREQ(lmp->exename, "LAMMPS_test");
EXPECT_EQ(lmp->num_package, 0);
EXPECT_EQ(lmp->clientserver, 0);
EXPECT_EQ(lmp->mdicomm, nullptr);
EXPECT_EQ(lmp->kokkos, nullptr);
EXPECT_EQ(lmp->atomKK, nullptr);
EXPECT_EQ(lmp->memoryKK, nullptr);
@ -218,8 +218,8 @@ TEST_F(LAMMPS_omp, InitMembers)
EXPECT_STREQ(lmp->exename, "LAMMPS_test");
EXPECT_EQ(lmp->num_package, 1);
EXPECT_EQ(lmp->clientserver, 0);
EXPECT_EQ(lmp->mdicomm, nullptr);
EXPECT_EQ(lmp->kokkos, nullptr);
EXPECT_EQ(lmp->atomKK, nullptr);
EXPECT_EQ(lmp->memoryKK, nullptr);
@ -302,12 +302,12 @@ TEST_F(LAMMPS_kokkos, InitMembers)
EXPECT_STREQ(lmp->exename, "LAMMPS_test");
EXPECT_EQ(lmp->num_package, 0);
EXPECT_EQ(lmp->clientserver, 0);
if (Info::has_accelerator_feature("KOKKOS", "api", "openmp"))
EXPECT_EQ(lmp->comm->nthreads, 2);
else
EXPECT_EQ(lmp->comm->nthreads, 1);
EXPECT_EQ(lmp->mdicomm, nullptr);
EXPECT_NE(lmp->kokkos, nullptr);
EXPECT_NE(lmp->atomKK, nullptr);
EXPECT_NE(lmp->memoryKK, nullptr);