lammps/unittest/c-library/test_library_open.cpp

// unit tests for the LAMMPS base class

#include "library.h"
#include "lammps.h"
#include <mpi.h>
#include <cstdio>  // for stdin, stdout
#include <string>

#include "gtest/gtest.h"

TEST(lammps_open, null_args) {
    ::testing::internal::CaptureStdout();
    void *handle = lammps_open(0,NULL, MPI_COMM_WORLD, NULL);
    std::string output = ::testing::internal::GetCapturedStdout();
    EXPECT_STREQ(output.substr(0,6).c_str(),"LAMMPS");
    int mpi_init=0;
    MPI_Initialized(&mpi_init);
    EXPECT_GT(mpi_init,0);
    LAMMPS_NS::LAMMPS *lmp = (LAMMPS_NS::LAMMPS *)handle;
    EXPECT_EQ(lmp->world, MPI_COMM_WORLD);
    EXPECT_EQ(lmp->infile, stdin);
    EXPECT_EQ(lmp->screen, stdout);
    EXPECT_NE(lmp->citeme, nullptr);
    ::testing::internal::CaptureStdout();
    lammps_close(handle);
    output = ::testing::internal::GetCapturedStdout();
    EXPECT_STREQ(output.substr(0,16).c_str(), "Total wall time:");
}

TEST(lammps_open, with_args) {
    const char *args[] = {"liblammps",
                          "-log", "none",
                          "-nocite"};
    char **argv = (char **)args;
    int argc = sizeof(args)/sizeof(char *);

    // MPI is already initialized
    MPI_Comm mycomm;
    MPI_Comm_split(MPI_COMM_WORLD, 0, 1, &mycomm);
    ::testing::internal::CaptureStdout();
    void *alt_ptr;
    void *handle = lammps_open(argc, argv, mycomm, &alt_ptr);
    std::string output = ::testing::internal::GetCapturedStdout();
    EXPECT_STREQ(output.substr(0,6).c_str(),"LAMMPS");
    EXPECT_EQ(handle,alt_ptr);
    LAMMPS_NS::LAMMPS *lmp = (LAMMPS_NS::LAMMPS *)handle;

    // MPI STUBS uses no real communicators
#if !defined(MPI_STUBS)
    EXPECT_NE(lmp->world, MPI_COMM_WORLD);
#endif

    EXPECT_EQ(lmp->world, mycomm);
    EXPECT_EQ(lmp->infile, stdin);
    EXPECT_EQ(lmp->logfile, nullptr);
    EXPECT_EQ(lmp->citeme, nullptr);
    EXPECT_EQ(lmp->kokkos, nullptr);
    EXPECT_EQ(lmp->atomKK, nullptr);
    EXPECT_EQ(lmp->memoryKK, nullptr);
    ::testing::internal::CaptureStdout();
    lammps_close(handle);
    output = ::testing::internal::GetCapturedStdout();
    EXPECT_STREQ(output.substr(0,16).c_str(), "Total wall time:");
}

TEST(lammps_open, with_kokkos) {
    if (!LAMMPS_NS::LAMMPS::is_installed_pkg("KOKKOS")) GTEST_SKIP();
    const char *args[] = {"liblammps",
                          "-k", "on", "t", "2",
                          "-sf", "kk",
                          "-log", "none" };
    char **argv = (char **)args;
    int argc = sizeof(args)/sizeof(char *);

    ::testing::internal::CaptureStdout();
    void *alt_ptr;
    void *handle = lammps_open(argc, argv, MPI_COMM_WORLD, &alt_ptr);
    std::string output = ::testing::internal::GetCapturedStdout();
    EXPECT_STREQ(output.substr(0,6).c_str(),"LAMMPS");
    EXPECT_EQ(handle,alt_ptr);
    LAMMPS_NS::LAMMPS *lmp = (LAMMPS_NS::LAMMPS *)handle;

    EXPECT_EQ(lmp->world, MPI_COMM_WORLD);
    EXPECT_EQ(lmp->infile, stdin);
    EXPECT_EQ(lmp->logfile, nullptr);
    EXPECT_NE(lmp->citeme, nullptr);
    EXPECT_EQ(lmp->num_package, 0);
    EXPECT_NE(lmp->kokkos, nullptr);
    EXPECT_NE(lmp->atomKK, nullptr);
    EXPECT_NE(lmp->memoryKK, nullptr);
    ::testing::internal::CaptureStdout();
    lammps_close(handle);
    output = ::testing::internal::GetCapturedStdout();
    EXPECT_STREQ(output.substr(0,16).c_str(), "Total wall time:");
}

TEST(lammps_open_no_mpi, no_screen) {
    const char *args[] = {"liblammps",
                          "-log", "none",
                          "-screen", "none",
                          "-nocite"};
    char **argv = (char **)args;
    int argc = sizeof(args)/sizeof(char *);

    ::testing::internal::CaptureStdout();
    void *alt_ptr;
    void *handle = lammps_open_no_mpi(argc, argv, &alt_ptr);
    std::string output = ::testing::internal::GetCapturedStdout();
    EXPECT_STREQ(output.c_str(),"");
    EXPECT_EQ(handle,alt_ptr);
    LAMMPS_NS::LAMMPS *lmp = (LAMMPS_NS::LAMMPS *)handle;

    EXPECT_EQ(lmp->world, MPI_COMM_WORLD);
    EXPECT_EQ(lmp->infile, stdin);
    EXPECT_EQ(lmp->screen, nullptr);
    EXPECT_EQ(lmp->logfile, nullptr);
    EXPECT_EQ(lmp->citeme, nullptr);
    EXPECT_EQ(lmp->suffix_enable, 0);

    EXPECT_STREQ(lmp->exename, "liblammps");
    EXPECT_EQ(lmp->num_package, 0);
    ::testing::internal::CaptureStdout();
    lammps_close(handle);
    output = ::testing::internal::GetCapturedStdout();
    EXPECT_STREQ(output.c_str(), "");
}

TEST(lammps_open_no_mpi, with_omp) {
    if (!LAMMPS_NS::LAMMPS::is_installed_pkg("USER-OMP")) GTEST_SKIP();
    const char *args[] = {"liblammps",
                          "-pk", "omp", "2", "neigh", "no",
                          "-sf", "omp",
                          "-log", "none",
                          "-nocite"};
    char **argv = (char **)args;
    int argc = sizeof(args)/sizeof(char *);

    ::testing::internal::CaptureStdout();
    void *alt_ptr;
    void *handle = lammps_open_no_mpi(argc, argv, &alt_ptr);
    std::string output = ::testing::internal::GetCapturedStdout();
    EXPECT_STREQ(output.substr(0,6).c_str(),"LAMMPS");
    EXPECT_EQ(handle,alt_ptr);
    LAMMPS_NS::LAMMPS *lmp = (LAMMPS_NS::LAMMPS *)handle;

    EXPECT_EQ(lmp->world, MPI_COMM_WORLD);
    EXPECT_EQ(lmp->infile, stdin);
    EXPECT_EQ(lmp->logfile, nullptr);
    EXPECT_EQ(lmp->citeme, nullptr);
    EXPECT_EQ(lmp->suffix_enable, 1);
    EXPECT_STREQ(lmp->suffix, "omp");
    EXPECT_EQ(lmp->suffix2, nullptr);
    EXPECT_STREQ(lmp->exename, "liblammps");
    EXPECT_EQ(lmp->num_package, 1);
    ::testing::internal::CaptureStdout();
    lammps_close(handle);
    output = ::testing::internal::GetCapturedStdout();
    EXPECT_STREQ(output.substr(0,16).c_str(), "Total wall time:");
}

TEST(lammps_open_fortran, no_args) {
    // MPI is already initialized
    MPI_Comm mycomm;
    MPI_Comm_split(MPI_COMM_WORLD, 0, 1, &mycomm);
    int fcomm = MPI_Comm_c2f(mycomm);
    ::testing::internal::CaptureStdout();
    void *handle = lammps_open_fortran(0, NULL, fcomm);
    std::string output = ::testing::internal::GetCapturedStdout();
    EXPECT_STREQ(output.substr(0,6).c_str(),"LAMMPS");
    LAMMPS_NS::LAMMPS *lmp = (LAMMPS_NS::LAMMPS *)handle;

    // MPI STUBS uses no real communicators
#if !defined(MPI_STUBS)
    EXPECT_NE(lmp->world, MPI_COMM_WORLD);
#endif

    EXPECT_EQ(lmp->world, mycomm);
    EXPECT_EQ(lmp->infile, stdin);
    EXPECT_EQ(lmp->screen, stdout);
    EXPECT_NE(lmp->logfile, nullptr);
    EXPECT_NE(lmp->citeme, nullptr);
    ::testing::internal::CaptureStdout();
    lammps_close(handle);
    output = ::testing::internal::GetCapturedStdout();
    EXPECT_STREQ(output.substr(0,16).c_str(), "Total wall time:");
}