// unit tests for getting LAMMPS configuration through the Fortran wrapper #include "lammps.h" #include "library.h" #include "info.h" #include #include "gmock/gmock.h" #include "gtest/gtest.h" extern "C" { void *f_lammps_with_args(); void f_lammps_close(); int f_lammps_version(); int f_lammps_mpi_support(); int f_lammps_gzip_support(); int f_lammps_png_support(); int f_lammps_jpeg_support(); int f_lammps_ffmpeg_support(); int f_lammps_has_exceptions(); int f_lammps_has_package(const char*); int f_lammps_package_count(); char* f_lammps_package_name(int); int f_lammps_config_accelerator(const char*, const char*, const char*); int f_lammps_has_gpu(); char* f_lammps_get_gpu_info(size_t); int f_lammps_has_style(); int f_lammps_style_count(); int f_lammps_style_name(); } namespace LAMMPS_NS { using ::testing::ContainsRegex; class LAMMPS_configuration : public ::testing::Test { protected: LAMMPS *lmp; void SetUp() override { ::testing::internal::CaptureStdout(); lmp = (LAMMPS *)f_lammps_with_args(); std::string output = ::testing::internal::GetCapturedStdout(); EXPECT_STREQ(output.substr(0, 8).c_str(), "LAMMPS ("); } void TearDown() override { ::testing::internal::CaptureStdout(); f_lammps_close(); std::string output = ::testing::internal::GetCapturedStdout(); EXPECT_STREQ(output.substr(0, 16).c_str(), "Total wall time:"); lmp = nullptr; } }; TEST_F(LAMMPS_configuration, version) { EXPECT_LT(20200917, f_lammps_version()); EXPECT_EQ(lmp->num_ver, f_lammps_version()); }; TEST_F(LAMMPS_configuration, MPI_support) { #ifdef MPI_STUBS EXPECT_EQ(f_lammps_mpi_support(), 0); #else EXPECT_EQ(f_lammps_mpi_support(), 1); #endif }; TEST_F(LAMMPS_configuration, gzip_support) { EXPECT_EQ(f_lammps_gzip_support(), Info::has_gzip_support()); } TEST_F(LAMMPS_configuration, png_support) { EXPECT_EQ(f_lammps_png_support(), Info::has_png_support()); } TEST_F(LAMMPS_configuration, jpeg_support) { EXPECT_EQ(f_lammps_jpeg_support(), Info::has_jpeg_support()); } TEST_F(LAMMPS_configuration, ffmpeg_support) { EXPECT_EQ(f_lammps_ffmpeg_support(), Info::has_ffmpeg_support()); } TEST_F(LAMMPS_configuration, has_exceptions) { EXPECT_EQ(f_lammps_has_exceptions(), Info::has_exceptions()); } TEST_F(LAMMPS_configuration, has_package) { std::vector pkg_name = {"ADIOS","ASPHERE","ATC","AWPMD","BOCS", "BODY", "BPM", "BROWNIAN", "CG-DNA", "CLASS2", "COLLOID", "COLVARS", "COMPRESS", "CORESHELL", "DEPEND", "DIELECTRIC", "DIFFRACTION", "DIPOLE", "DPD-BASIC", "DPD-MESO", "DPD-REACT", "DPD-SMOOTH", "DRUDE", "EFF", "ELECTRODE", "EXTRA-COMPUTE", "EXTRA-DUMP", "EXTRA-FIX", "EXTRA-MOLECULE", "EXTRA-PAIR", "FEP", "GPU", "GRANULAR", "H5MD", "INTEL", "INTEL/TEST", "INTERLAYER", "KIM", "KOKKOS", "KSPACE", "LATBOLTZ", "LATTE", "MACHDYN", "MAKE", "MAKE/MACHINES", "MAKE/MINE", "MAKE/OPTIONS", "MANIFOLD", "MANYBODY", "MC", "MDI", "MEAM", "MESONT", "MGPT", "MISC", "ML-HDNNP", "ML-IAP", "ML-PACE", "ML-QUIP", "ML-RANN", "ML-SNAP", "MOFFF", "MOLECULE", "MOLFILE", "MPIIO", "MSCG", "NETCDF", "OPENMP", "OPT", "ORIENT", "PERI", "PHONON", "PLUGIN", "PLUMED", "POEMS", "PTM", "PYTHON", "QEQ", "QMMM", "QTB", "REACTION", "REAXFF", "REPLICA", "RIGID", "SCAFACOS", "SHOCK", "SMTBQ", "SPH", "SPIN", "SRD", "STUBS", "TALLY", "UEF", "VORONOI", "VTK", "YAFF", "CG-SPICA", "AMOEBA"}; for (int i = 0; i < pkg_name.size(); i++) EXPECT_EQ(f_lammps_has_package(pkg_name[i].c_str()), Info::has_package(pkg_name[i])); } TEST_F(LAMMPS_configuration, package_count) { int package_count = 0; while (LAMMPS::installed_packages[package_count] != nullptr) package_count++; EXPECT_EQ(f_lammps_package_count(), package_count); }; TEST_F(LAMMPS_configuration, package_name) { int i = 0; while (LAMMPS::installed_packages[i] != nullptr) { char* name = f_lammps_package_name(i+1); // 1 in Fortran is 0 in C if (name) EXPECT_STREQ(LAMMPS::installed_packages[i], name); else EXPECT_STREQ(LAMMPS::installed_packages[i], "NOT FOUND"); std::free(name); i++; } }; TEST_F(LAMMPS_configuration, config_accelerator) { const int npackage = 4; const int ncategory = 2; const int nsetting_api = 7; const int nsetting_precision = 3; const std::string package[] = {"GPU","KOKKOS","INTEL","OPENMP"}; const std::string category[] = {"api","precision"}; const std::string setting_api[] = {"cuda","hip","phi","pthreads","opencl", "openmp","serial"}; const std::string setting_precision[] = {"double","mixed","single"}; for (int p=0; p < npackage; p++) { for (int c=0; c < ncategory; c++) { if (category[c] == "api") { for (int s=0; s < nsetting_api; s++) EXPECT_EQ(f_lammps_config_accelerator(package[p].c_str(), category[c].c_str(), setting_api[s].c_str()), Info::has_accelerator_feature(package[p], category[c], setting_api[s])); } else if (category[c] == "precision") { for (int s=0; s < nsetting_precision; s++) EXPECT_EQ(f_lammps_config_accelerator(package[p].c_str(), category[c].c_str(), setting_precision[s].c_str()), Info::has_accelerator_feature(package[p],category[c],setting_precision[s])); } } } }; TEST_F(LAMMPS_configuration, has_gpu) { EXPECT_EQ(Info::has_gpu_device(), f_lammps_has_gpu()); }; TEST_F(LAMMPS_configuration, get_gpu_info) { if (!Info::has_gpu_device()) GTEST_SKIP(); size_t n; std::string cpp_info = Info::get_gpu_device_info(); n = cpp_info.size(); char* f_string; f_string = f_lammps_get_gpu_info(n); EXPECT_STREQ(f_string, cpp_info.c_str()); std::free(f_string); if (n > 80) { f_string = f_lammps_get_gpu_info(80); cpp_info.resize(80); EXPECT_STREQ(f_string, cpp_info.c_str()); std::free(f_string); } }; } // namespace LAMMPS_NS