Merge pull request #2182 from akohlmey/test-updates (22c88b80) · Commits · 郑智淋 / lammps

cmake/CMakeLists.txt

+2 −2

Original line number	Diff line number	Diff line
		@@ -257,9 +257,9 @@ if(${CMAKE_CXX_COMPILER_ID} STREQUAL "GNU")
		endif()
		endif()

		set(ENABLE_SANITIZER "none" CACHE STRING "Select a code sanitizer option (none (default), address, thread, undefined)")
		set(ENABLE_SANITIZER "none" CACHE STRING "Select a code sanitizer option (none (default), address, leak, thread, undefined)")
		mark_as_advanced(ENABLE_SANITIZER)
		set(ENABLE_SANITIZER_VALUES none address thread undefined)
		set(ENABLE_SANITIZER_VALUES none address leak thread undefined)
		set_property(CACHE ENABLE_SANITIZER PROPERTY STRINGS ${ENABLE_SANITIZER_VALUES})
		validate_option(ENABLE_SANITIZER ENABLE_SANITIZER_VALUES)
		string(TOLOWER ${ENABLE_SANITIZER} ENABLE_SANITIZER)

+15 −0

Original line number	Diff line number	Diff line
		@@ -3,6 +3,21 @@
		###############################################################################
		option(ENABLE_TESTING "Enable testing" OFF)
		if(ENABLE_TESTING)
		find_program(VALGRIND_BINARY NAMES valgrind)
		# generate custom suppression file
		file(WRITE ${CMAKE_CURRENT_BINARY_DIR}/lammps.supp "\n")
		file(GLOB VALGRIND_SUPPRESSION_FILES ${LAMMPS_TOOLS_DIR}/valgrind/[^.]*.supp)
		foreach(SUPP ${VALGRIND_SUPPRESSION_FILES})
		file(READ ${SUPP} SUPPRESSIONS)
		file(APPEND ${CMAKE_CURRENT_BINARY_DIR}/lammps.supp "${SUPPRESSIONS}")
		endforeach()
		set(VALGRIND_DEFAULT_OPTIONS "--leak-check=full --show-leak-kinds=all --track-origins=yes --suppressions=${CMAKE_BINARY_DIR}/lammps.supp")

		set(MEMORYCHECK_COMMAND "${VALGRIND_BINARY}" CACHE FILEPATH "Memory Check Command")
		set(MEMORYCHECK_COMMAND_OPTIONS "${VALGRIND_DEFAULT_OPTIONS}" CACHE STRING "Memory Check Command Options")

		include(CTest)

		enable_testing()
		get_filename_component(LAMMPS_UNITTEST_DIR ${LAMMPS_SOURCE_DIR}/../unittest ABSOLUTE)
		get_filename_component(LAMMPS_UNITTEST_BIN ${CMAKE_BINARY_DIR}/unittest ABSOLUTE)

+3 −0

Original line number	Diff line number	Diff line
		@@ -52,6 +52,7 @@ compilation and linking stages. This is done through setting the

		-D ENABLE_SANITIZER=none # no sanitizer active (default)
		-D ENABLE_SANITIZER=address # enable address sanitizer / memory leak checker
		-D ENABLE_SANITIZER=leak # enable memory leak checker (only)
		-D ENABLE_SANITIZER=undefined # enable undefined behavior sanitizer
		-D ENABLE_SANITIZER=thread # enable thread sanitizer

		@@ -121,6 +122,8 @@ The ``ctest`` command has many options, the most important ones are:
		- exclude subset of tests matching the regular expression <regex>
		* - -N
		- dry-run: display list of tests without running them
		* - -T memcheck
		- run tests with valgrind memory checker (if available)

		In its full implementation, the unit test framework will consist of multiple
		kinds of tests implemented in different programming languages (C++, C, Python,

+1 −0

Original line number	Diff line number	Diff line
		@@ -29,6 +29,7 @@ using namespace MathConst;
		Angle::Angle(LAMMPS *lmp) : Pointers(lmp)
		{
		energy = 0.0;
		virial[0] = virial[1] = virial[2] = virial[3] = virial[4] = virial[5] = 0.0;
		writedata = 1;

		allocated = 0;

+15 −0

Original line number	Diff line number	Diff line
		@@ -33,6 +33,9 @@ AngleHybrid::AngleHybrid(LAMMPS *lmp) : Angle(lmp)
		{
		writedata = 0;
		nstyles = 0;
		nanglelist = nullptr;
		maxangle = nullptr;
		anglelist = nullptr;
		}

		/* ---------------------------------------------------------------------- */
		@@ -105,6 +108,18 @@ void AngleHybrid::compute(int eflag, int vflag)

		ev_init(eflag,vflag);

		// need to clear per-thread storage here, when using multiple threads
		// with thread-enabled substyles to avoid uninitlialized data access.

		const int nthreads = comm->nthreads;
		if (comm->nthreads > 1) {
		const int nall = atom->nlocal + atom->nghost;
		if (eflag_atom)
		memset(&eatom[0],0,nallnthreadssizeof(double));
		if (vflag_atom)
		memset(&vatom[0][0],0,6nallnthreads*sizeof(double));
		}

		for (m = 0; m < nstyles; m++) {
		neighbor->nanglelist = nanglelist[m];
		neighbor->anglelist = anglelist[m];