"platforms/cuda2/src/CudaExpressionUtilities.h" did not exist on "4e1e1b1162036a617d6ecadd5e218a799e0ecc6b"
Commit 92a981e6 authored by Mark Friedrichs's avatar Mark Friedrichs
Browse files

Rename testBrookPeriodicTorsionForce/cpp

parent ea46c1c5
#
# Testing
#
ENABLE_TESTING()
......@@ -20,7 +19,7 @@ ENDIF(LOG)
INCLUDE(${CMAKE_CURRENT_SOURCE_DIR}/../brook-cmake/FindBrook.cmake)
SET(BROOK_LIB brook)
SET(BROOK_LIB brookStatic)
SET(OpenMM_BROOK_LIBRARY_NAME OpenMM_Brook)
......@@ -37,17 +36,17 @@ FOREACH(TEST_PROG ${TEST_PROGS})
# Link with shared library
ADD_EXECUTABLE(${TEST_ROOT} ${TEST_PROG})
TARGET_LINK_LIBRARIES(${TEST_ROOT} ${SHARED_TARGET})
#ADD_TEST(${TEST_ROOT} ${EXECUTABLE_OUTPUT_PATH}/${TEST_ROOT})
TARGET_LINK_LIBRARIES(${TEST_ROOT} ${SHARED_TARGET} ${OpenMM_BROOK_LIBRARY_NAME})
ADD_TEST(${TEST_ROOT} ${EXECUTABLE_OUTPUT_PATH}/${TEST_ROOT})
# ----------------------------------------------------------------------------
IF(LOG)
FILE( APPEND ${LOG_FILE} "TARGET_LINK_LIBRARIES: ${TEST_PROG} TARGET=${SHARED_TARGET} BROOK_TARGET=${ROOK_TARGET} BROOK_LIB=${BROOK_LIB}\n")
FILE( APPEND ${LOG_FILE} "Shared: TARGET_LINK_LIBRARIES: ${TEST_PROG} TARGET=${SHARED_TARGET} BROOK_TARGET=${ROOK_TARGET} BROOK_LIB=${BROOK_LIB}\n")
ENDIF(LOG)
# ----------------------------------------------------------------------------
SET( CMAKE_EXE_LINKER_FLAGS "/NODEFAULTLIB:\"LIBCMT.lib\"")
SET( CMAKE_EXE_LINKER_FLAGS_DEBUG "/NODEFAULTLIB:\"LIBCMTD.lib\"")
# SET( CMAKE_EXE_LINKER_FLAGS "/NODEFAULTLIB:\"LIBCMT.lib\"")
# SET( CMAKE_EXE_LINKER_FLAGS_DEBUG "/NODEFAULTLIB:\"LIBCMTD.lib\"")
ADD_DEFINITIONS( -D_WIN32 )
......@@ -55,17 +54,17 @@ FOREACH(TEST_PROG ${TEST_PROGS})
SET(TEST_STATIC ${TEST_ROOT}Static)
ADD_EXECUTABLE(${TEST_STATIC} ${TEST_PROG})
# SET_TARGET_PROPERTIES(${TEST_STATIC}
# PROPERTIES
# COMPILE_FLAGS "-DOPENMM_USE_STATIC_LIBRARIES"
# )
SET_TARGET_PROPERTIES(${TEST_STATIC}
PROPERTIES
COMPILE_FLAGS "-DOPENMM_USE_STATIC_LIBRARIES"
)
TARGET_LINK_LIBRARIES(${TEST_STATIC} ${STATIC_TARGET} ${STATIC_BROOK_TARGET} ${BROOK_LIB})
# ADD_TEST(${TEST_STATIC} ${EXECUTABLE_OUTPUT_PATH}/${TEST_STATIC})
# ----------------------------------------------------------------------------
IF(LOG)
FILE( APPEND ${LOG_FILE} "TARGET_LINK_LIBRARIES: ${TEST_STATIC} STATIC_TARGET=${STATIC_TARGET} STATIC_BROOK_TARGET=${STATIC_BROOK_TARGET} BROOK_LIB=${BROOK_LIB}\n")
FILE( APPEND ${LOG_FILE} "Static: TARGET_LINK_LIBRARIES: TEST_STATIC=${TEST_STATIC} STATIC_TARGET=${STATIC_TARGET} STATIC_BROOK_TARGET=${STATIC_BROOK_TARGET} BROOK_LIB=${BROOK_LIB}\n\n")
ENDIF(LOG)
# ----------------------------------------------------------------------------
......
......@@ -93,7 +93,7 @@ void testMotionRemoval( FILE* log ) {
nonbonded->setParticleParameters(i, (i%2 == 0 ? 1.0 : -1.0), 1.0, 5.0);
}
system.addForce(nonbonded);
CMMotionRemover* remover = new CMMotionRemover();
CMMotionRemover* remover = new CMMotionRemover( 1 );
system.addForce(remover);
OpenMMContext context(system, integrator, platform);
vector<Vec3> positions(numberOfParticles);
......
......@@ -223,8 +223,10 @@ void testLangevinTemperature( FILE* log ){
forceField->setParticleParameters(i, (i%2 == 0 ? 1.0 : -1.0), 1.0, 5.0);
}
system.addForce(forceField);
CMMotionRemover* remover = new CMMotionRemover();
CMMotionRemover* remover = new CMMotionRemover( 10 );
system.addForce(remover);
OpenMMContext context(system, integrator, platform);
vector<Vec3> positions(numberOfParticles);
for (int i = 0; i < numberOfParticles; ++i){
......@@ -232,7 +234,7 @@ void testLangevinTemperature( FILE* log ){
}
context.setPositions(positions);
// Let it oquilibrate.
// Let it equilibrate.
integrator.step(10000);
......@@ -375,9 +377,9 @@ int main( ){
(void) fflush( stdout );
(void) fflush( stderr );
try {
// testLangevinSingleBond( log );
// testLangevinConstraints( log );
testLangevinTemperature( log );
testLangevinSingleBond( log );
testLangevinConstraints( log );
} catch( const exception& e ){
(void) fprintf( log, "Exception %s %.s\n", methodName.c_str(), e.what() ); (void) fflush( log );
return 1;
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment