lammps/unittest/fortran/wrap_configuration.cpp

// unit tests for getting LAMMPS configuration through the Fortran wrapper

#include "lammps.h"
#include "library.h"
#include "info.h"

#include <string>

#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<std::string> 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