diff --git a/unittest/formats/CMakeLists.txt b/unittest/formats/CMakeLists.txt index 1ae32c2777..9d194e545c 100644 --- a/unittest/formats/CMakeLists.txt +++ b/unittest/formats/CMakeLists.txt @@ -23,3 +23,13 @@ endif() add_executable(test_file_operations test_file_operations.cpp) target_link_libraries(test_file_operations PRIVATE lammps GTest::GMock GTest::GTest) add_test(NAME FileOperations COMMAND test_file_operations WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) + +add_executable(test_dump test_dump.cpp) +target_link_libraries(test_dump PRIVATE lammps GTest::GMock GTest::GTest) +add_test(NAME Dump COMMAND test_dump WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) +set_tests_properties(Dump PROPERTIES ENVIRONMENT "LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS_DIR}") + +if (BUILD_TOOLS) + set_tests_properties(Dump PROPERTIES ENVIRONMENT "BINARY2TXT_BINARY=$") + MESSAGE($) +endif() diff --git a/unittest/formats/test_dump.cpp b/unittest/formats/test_dump.cpp new file mode 100644 index 0000000000..f58ef94b7e --- /dev/null +++ b/unittest/formats/test_dump.cpp @@ -0,0 +1,253 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + http://lammps.sandia.gov, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +#include "info.h" +#include "input.h" +#include "lammps.h" +#include "utils.h" +#include "gmock/gmock.h" +#include "gtest/gtest.h" +#include "fmt/format.h" +#include "potential_file_reader.h" + +#include +#include +#include +#include + +using namespace LAMMPS_NS; + +// whether to print verbose output (i.e. not capturing LAMMPS screen output). +bool verbose = false; + +char * BINARY2TXT_BINARY = nullptr; + +static void delete_file(const std::string &filename) +{ + remove(filename.c_str()); +} + +static size_t count_lines(const std::string &filename) +{ + std::ifstream infile(filename); + std::string line; + size_t nlines = 0; + + while (std::getline(infile, line)) + ++nlines; + + return nlines; +} + +static bool equal_lines(const std::string &fileA, const std::string &fileB) +{ + std::ifstream afile(fileA); + std::ifstream bfile(fileB); + std::string lineA, lineB; + + while (std::getline(afile, lineA)) { + if(!std::getline(bfile, lineB)) return false; + if(lineA != lineB) return false; + } + + return true; +} + +static bool file_exists(const std::string &filename) { + struct stat result; + return stat(filename.c_str(), &result) == 0; +} + +#define ASSERT_FILE_EXISTS(NAME) ASSERT_TRUE(file_exists(NAME)) +#define ASSERT_FILE_EQUAL(FILE_A, FILE_B) ASSERT_TRUE(equal_lines(FILE_A, FILE_B)) + +class LAMMPSTest : public ::testing::Test { +public: + void command(const std::string &line) { + lmp->input->one(line.c_str()); + } + +protected: + const char * testbinary = "LAMMPSTest"; + LAMMPS *lmp; + + void SetUp() override + { + const char *args[] = { testbinary, "-log", "none", "-echo", "screen", "-nocite"}; + char **argv = (char **)args; + int argc = sizeof(args) / sizeof(char *); + if (!verbose) ::testing::internal::CaptureStdout(); + lmp = new LAMMPS(argc, argv, MPI_COMM_WORLD); + InitSystem(); + if (!verbose) ::testing::internal::GetCapturedStdout(); + } + + + virtual void InitSystem() { + } + + void TearDown() override + { + if (!verbose) ::testing::internal::CaptureStdout(); + delete lmp; + if (!verbose) ::testing::internal::GetCapturedStdout(); + } +}; + +class MeltTest : public LAMMPSTest { +protected: + virtual void InitSystem() override { + command("units lj"); + command("atom_style atomic"); + + command("lattice fcc 0.8442"); + command("region box block 0 2 0 2 0 2"); + command("create_box 1 box"); + command("create_atoms 1 box"); + command("mass 1 1.0"); + + command("velocity all create 3.0 87287"); + + command("pair_style lj/cut 2.5"); + command("pair_coeff 1 1 1.0 1.0 2.5"); + + command("neighbor 0.3 bin"); + command("neigh_modify every 20 delay 0 check no"); + } +}; + +class DumpAtomTest : public MeltTest { +}; + +TEST_F(DumpAtomTest, run0) +{ + if (!verbose) ::testing::internal::CaptureStdout(); + command("dump id all atom 1 dump_run0.melt"); + command("run 0"); + if (!verbose) ::testing::internal::GetCapturedStdout(); + + ASSERT_FILE_EXISTS("dump_run0.melt"); + ASSERT_EQ(count_lines("dump_run0.melt"), 41); + delete_file("dump_run0.melt"); +} + +TEST_F(DumpAtomTest, binary_run0) +{ + if(!BINARY2TXT_BINARY) GTEST_SKIP(); + + if (!verbose) ::testing::internal::CaptureStdout(); + command("dump id0 all atom 1 dump_text_run0.melt"); + command("dump id1 all atom 1 dump_binary_run0.melt.bin"); + command("run 0"); + if (!verbose) ::testing::internal::GetCapturedStdout(); + + ASSERT_FILE_EXISTS("dump_text_run0.melt"); + ASSERT_FILE_EXISTS("dump_binary_run0.melt.bin"); + std::string cmdline = fmt::format("{} dump_binary_run0.melt.bin", BINARY2TXT_BINARY); + system(cmdline.c_str()); + ASSERT_FILE_EXISTS("dump_binary_run0.melt.bin.txt"); + ASSERT_FILE_EQUAL("dump_text_run0.melt", "dump_binary_run0.melt.bin.txt"); + delete_file("dump_text_run0.melt"); + delete_file("dump_binary_run0.melt.bin"); + delete_file("dump_binary_run0.melt.bin.txt"); +} + +TEST_F(DumpAtomTest, run1) +{ + if (!verbose) ::testing::internal::CaptureStdout(); + command("dump id all atom 1 dump_run1.melt"); + command("run 1"); + if (!verbose) ::testing::internal::GetCapturedStdout(); + + ASSERT_FILE_EXISTS("dump_run1.melt"); + ASSERT_EQ(count_lines("dump_run1.melt"), 82); + delete_file("dump_run1.melt"); +} + +TEST_F(DumpAtomTest, run2) +{ + if (!verbose) ::testing::internal::CaptureStdout(); + command("dump id all atom 1 dump_run2.melt"); + command("run 2"); + if (!verbose) ::testing::internal::GetCapturedStdout(); + + ASSERT_FILE_EXISTS("dump_run2.melt"); + ASSERT_EQ(count_lines("dump_run2.melt"), 123); + delete_file("dump_run2.melt"); +} + +TEST_F(DumpAtomTest, multi_file_run1) +{ + if (!verbose) ::testing::internal::CaptureStdout(); + command("dump id all atom 1 dump_run1_*.melt"); + command("run 1"); + if (!verbose) ::testing::internal::GetCapturedStdout(); + + ASSERT_FILE_EXISTS("dump_run1_0.melt"); + ASSERT_FILE_EXISTS("dump_run1_1.melt"); + ASSERT_EQ(count_lines("dump_run1_0.melt"), 41); + ASSERT_EQ(count_lines("dump_run1_1.melt"), 41); + delete_file("dump_run1_0.melt"); + delete_file("dump_run1_1.melt"); +} + +TEST_F(DumpAtomTest, per_processor_file_run1) +{ + if (!verbose) ::testing::internal::CaptureStdout(); + command("dump id all atom 1 dump_run1_p%.melt"); + command("run 1"); + if (!verbose) ::testing::internal::GetCapturedStdout(); + + ASSERT_FILE_EXISTS("dump_run1_p0.melt"); + ASSERT_EQ(count_lines("dump_run1_p0.melt"), 82); + delete_file("dump_run1_p0.melt"); +} + +TEST_F(DumpAtomTest, per_processor_multi_file_run1) +{ + if (!verbose) ::testing::internal::CaptureStdout(); + command("dump id all atom 1 dump_run1_p%_*.melt"); + command("run 1"); + if (!verbose) ::testing::internal::GetCapturedStdout(); + + ASSERT_FILE_EXISTS("dump_run1_p0_0.melt"); + ASSERT_FILE_EXISTS("dump_run1_p0_1.melt"); + ASSERT_EQ(count_lines("dump_run1_p0_0.melt"), 41); + ASSERT_EQ(count_lines("dump_run1_p0_1.melt"), 41); + delete_file("dump_run1_p0_0.melt"); + delete_file("dump_run1_p0_1.melt"); +} + +int main(int argc, char **argv) +{ + MPI_Init(&argc, &argv); + ::testing::InitGoogleMock(&argc, argv); + + // handle arguments passed via environment variable + if (const char *var = getenv("TEST_ARGS")) { + std::vector env = utils::split_words(var); + for (auto arg : env) { + if (arg == "-v") { + verbose = true; + } + } + } + + BINARY2TXT_BINARY = getenv("BINARY2TXT_BINARY"); + + if ((argc > 1) && (strcmp(argv[1], "-v") == 0)) verbose = true; + + int rv = RUN_ALL_TESTS(); + MPI_Finalize(); + return rv; +}