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Commit 76d592d6 authored by Peter Eastman's avatar Peter Eastman
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Fixed additional errors on Windows

parent 5c983283
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Showing with 73 additions and 63 deletions
CMakeLists.txt
View file @ 76d592d6
......@@ -118,11 +118,11 @@ IF (APPLE)
SET (CMAKE_INSTALL_NAME_DIR "@rpath")
SET(EXTRA_COMPILE_FLAGS "-msse2 -stdlib=libc++")
ELSE (APPLE)
IF (WIN32)
IF (MSVC)
SET(EXTRA_COMPILE_FLAGS)
ELSE (WIN32)
ELSE (MSVC)
SET(EXTRA_COMPILE_FLAGS "-msse2")
ENDIF (WIN32)
ENDIF (MSVC)
ENDIF (APPLE)
IF(UNIX AND NOT CMAKE_BUILD_TYPE)
......@@ -299,12 +299,10 @@ IF(DL_LIBRARY)
IF(OPENMM_BUILD_STATIC_LIB)
TARGET_LINK_LIBRARIES(${STATIC_TARGET} ${DL_LIBRARY} ${PTHREADS_LIB})
ENDIF(OPENMM_BUILD_STATIC_LIB)
MARK_AS_ADVANCED(DL_LIBRARY)
ELSE(DL_LIBRARY)
TARGET_LINK_LIBRARIES(${SHARED_TARGET} ${PTHREADS_LIB})
ENDIF(DL_LIBRARY)
IF(WIN32)
MARK_AS_ADVANCED(DL_LIBRARY)
ENDIF(WIN32)
ADD_SUBDIRECTORY(platforms/reference/tests)
......
openmmapi/include/openmm/internal/vectorize8.h
View file @ 76d592d6
......@@ -63,55 +63,55 @@ public:
void store(float* v) const {
_mm256_storeu_ps(v, val);
}
fvec8 operator+(fvec8 other) const {
fvec8 operator+(const fvec8& other) const {
return _mm256_add_ps(val, other);
}
fvec8 operator-(fvec8 other) const {
fvec8 operator-(const fvec8& other) const {
return _mm256_sub_ps(val, other);
}
fvec8 operator*(fvec8 other) const {
fvec8 operator*(const fvec8& other) const {
return _mm256_mul_ps(val, other);
}
fvec8 operator/(fvec8 other) const {
fvec8 operator/(const fvec8& other) const {
return _mm256_div_ps(val, other);
}
void operator+=(fvec8 other) {
void operator+=(const fvec8& other) {
val = _mm256_add_ps(val, other);
}
void operator-=(fvec8 other) {
void operator-=(const fvec8& other) {
val = _mm256_sub_ps(val, other);
}
void operator*=(fvec8 other) {
void operator*=(const fvec8& other) {
val = _mm256_mul_ps(val, other);
}
void operator/=(fvec8 other) {
void operator/=(const fvec8& other) {
val = _mm256_div_ps(val, other);
}
fvec8 operator-() const {
return _mm256_sub_ps(_mm256_set1_ps(0.0f), val);
}
fvec8 operator&(fvec8 other) const {
fvec8 operator&(const fvec8& other) const {
return _mm256_and_ps(val, other);
}
fvec8 operator|(fvec8 other) const {
fvec8 operator|(const fvec8& other) const {
return _mm256_or_ps(val, other);
}
fvec8 operator==(fvec8 other) const {
fvec8 operator==(const fvec8& other) const {
return _mm256_cmp_ps(val, other, _CMP_EQ_OQ);
}
fvec8 operator!=(fvec8 other) const {
fvec8 operator!=(const fvec8& other) const {
return _mm256_cmp_ps(val, other, _CMP_NEQ_OQ);
}
fvec8 operator>(fvec8 other) const {
fvec8 operator>(const fvec8& other) const {
return _mm256_cmp_ps(val, other, _CMP_GT_OQ);
}
fvec8 operator<(fvec8 other) const {
fvec8 operator<(const fvec8& other) const {
return _mm256_cmp_ps(val, other, _CMP_LT_OQ);
}
fvec8 operator>=(fvec8 other) const {
fvec8 operator>=(const fvec8& other) const {
return _mm256_cmp_ps(val, other, _CMP_GE_OQ);
}
fvec8 operator<=(fvec8 other) const {
fvec8 operator<=(const fvec8& other) const {
return _mm256_cmp_ps(val, other, _CMP_LE_OQ);
}
operator ivec8() const;
......@@ -141,10 +141,10 @@ public:
void store(int* v) const {
_mm256_storeu_si256((__m256i*) v, val);
}
ivec8 operator&(ivec8 other) const {
ivec8 operator&(const ivec8& other) const {
return _mm256_castps_si256(_mm256_and_ps(_mm256_castsi256_ps(val), _mm256_castsi256_ps(other.val)));
}
ivec8 operator|(ivec8 other) const {
ivec8 operator|(const ivec8& other) const {
return _mm256_castps_si256(_mm256_or_ps(_mm256_castsi256_ps(val), _mm256_castsi256_ps(other.val)));
}
operator fvec8() const;
......@@ -162,54 +162,56 @@ inline ivec8::operator fvec8() const {
// Functions that operate on fvec8s.
static inline fvec8 floor(fvec8 v) {
return fvec8(_mm256_floor_ps(v.val));
static inline fvec8 floor(const fvec8& v) {
return fvec8(_mm256_round_ps(v.val, 0x09));
}
static inline fvec8 ceil(fvec8 v) {
return fvec8(_mm256_ceil_ps(v.val));
static inline fvec8 ceil(const fvec8& v) {
return fvec8(_mm256_round_ps(v.val, 0x0A));
}
static inline fvec8 round(fvec8 v) {
static inline fvec8 round(const fvec8& v) {
return fvec8(_mm256_round_ps(v.val, _MM_FROUND_TO_NEAREST_INT));
}
static inline fvec8 min(fvec8 v1, fvec8 v2) {
static inline fvec8 min(const fvec8& v1, const fvec8& v2) {
return fvec8(_mm256_min_ps(v1.val, v2.val));
}
static inline fvec8 max(fvec8 v1, fvec8 v2) {
static inline fvec8 max(const fvec8& v1, const fvec8& v2) {
return fvec8(_mm256_max_ps(v1.val, v2.val));
}
static inline fvec8 abs(fvec8 v) {
static inline fvec8 abs(const fvec8& v) {
static const __m256 mask = _mm256_castsi256_ps(_mm256_set1_epi32(0x7FFFFFFF));
return fvec8(_mm256_and_ps(v.val, mask));
}
static inline fvec8 sqrt(fvec8 v) {
static inline fvec8 sqrt(const fvec8& v) {
return fvec8(_mm256_sqrt_ps(v.val));
}
static inline float dot8(fvec8 v1, fvec8 v2) {
static inline float dot8(const fvec8& v1, const fvec8& v2) {
fvec8 result = _mm256_dp_ps(v1, v2, 0xF1);
return _mm_cvtss_f32(result.lowerVec())+_mm_cvtss_f32(result.upperVec());
}
static inline void transpose(fvec4 in1, fvec4 in2, fvec4 in3, fvec4 in4, fvec4 in5, fvec4 in6, fvec4 in7, fvec4 in8, fvec8& out1, fvec8& out2, fvec8& out3, fvec8& out4) {
_MM_TRANSPOSE4_PS(in1, in2, in3, in4);
_MM_TRANSPOSE4_PS(in5, in6, in7, in8);
static inline void transpose(const fvec4& in1, const fvec4& in2, const fvec4& in3, const fvec4& in4, const fvec4& in5, const fvec4& in6, const fvec4& in7, const fvec4& in8, fvec8& out1, fvec8& out2, fvec8& out3, fvec8& out4) {
fvec4 i1 = in1, i2 = in2, i3 = in3, i4 = in4;
fvec4 i5 = in5, i6 = in6, i7 = in7, i8 = in8;
_MM_TRANSPOSE4_PS(i1, i2, i3, i4);
_MM_TRANSPOSE4_PS(i5, i6, i7, i8);
out1 = _mm256_castps128_ps256(in1);
out1 = _mm256_insertf128_ps(out1, in5, 1);
out1 = _mm256_insertf128_ps(out1, i5, 1);
out2 = _mm256_castps128_ps256(in2);
out2 = _mm256_insertf128_ps(out2, in6, 1);
out2 = _mm256_insertf128_ps(out2, i6, 1);
out3 = _mm256_castps128_ps256(in3);
out3 = _mm256_insertf128_ps(out3, in7, 1);
out3 = _mm256_insertf128_ps(out3, i7, 1);
out4 = _mm256_castps128_ps256(in4);
out4 = _mm256_insertf128_ps(out4, in8, 1);
out4 = _mm256_insertf128_ps(out4, i8, 1);
}
static inline void transpose(fvec8 in1, fvec8 in2, fvec8 in3, fvec8 in4, fvec4& out1, fvec4& out2, fvec4& out3, fvec4& out4, fvec4& out5, fvec4& out6, fvec4& out7, fvec4& out8) {
static inline void transpose(const fvec8& in1, const fvec8& in2, const fvec8& in3, const fvec8& in4, fvec4& out1, fvec4& out2, fvec4& out3, fvec4& out4, fvec4& out5, fvec4& out6, fvec4& out7, fvec4& out8) {
out1 = in1.lowerVec();
out2 = in2.lowerVec();
out3 = in3.lowerVec();
......@@ -224,31 +226,31 @@ static inline void transpose(fvec8 in1, fvec8 in2, fvec8 in3, fvec8 in4, fvec4&
// Functions that operate on ivec8s.
static inline bool any(ivec8 v) {
static inline bool any(const ivec8& v) {
return !_mm256_testz_si256(v, _mm256_set1_epi32(0xFFFFFFFF));
}
// Mathematical operators involving a scalar and a vector.
static inline fvec8 operator+(float v1, fvec8 v2) {
static inline fvec8 operator+(float v1, const fvec8& v2) {
return fvec8(v1)+v2;
}
static inline fvec8 operator-(float v1, fvec8 v2) {
static inline fvec8 operator-(float v1, const fvec8& v2) {
return fvec8(v1)-v2;
}
static inline fvec8 operator*(float v1, fvec8 v2) {
static inline fvec8 operator*(float v1, const fvec8& v2) {
return fvec8(v1)*v2;
}
static inline fvec8 operator/(float v1, fvec8 v2) {
static inline fvec8 operator/(float v1, const fvec8& v2) {
return fvec8(v1)/v2;
}
// Operations for blending fvec8s based on an ivec8.
static inline fvec8 blend(fvec8 v1, fvec8 v2, ivec8 mask) {
static inline fvec8 blend(const fvec8& v1, const fvec8& v2, const ivec8& mask) {
return fvec8(_mm256_blendv_ps(v1.val, v2.val, _mm256_castsi256_ps(mask.val)));
}
......
platforms/cpu/sharedTarget/CMakeLists.txt
View file @ 76d592d6
FOREACH(file ${SOURCE_FILES})
IF (file MATCHES ".*Vec8.*")
SET_SOURCE_FILES_PROPERTIES(${file} PROPERTIES COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} -msse4.1 -mavx")
IF (MSVC)
SET_SOURCE_FILES_PROPERTIES(${file} PROPERTIES COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} /arch:AVX /D__AVX__")
ELSE (MSVC)
SET_SOURCE_FILES_PROPERTIES(${file} PROPERTIES COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} -msse4.1 -mavx")
ENDIF (MSVC)
ELSE (file MATCHES ".*Vec8.*")
IF (NOT MSVC)
SET_SOURCE_FILES_PROPERTIES(${file} PROPERTIES COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} -msse4.1")
ENDIF (NOT MSVC)
ENDIF (file MATCHES ".*Vec8.*")
ENDFOREACH(file)
ADD_LIBRARY(${SHARED_TARGET} SHARED ${SOURCE_FILES} ${SOURCE_INCLUDE_FILES} ${API_ABS_INCLUDE_FILES})
......@@ -11,6 +19,6 @@ ELSE (UNIX AND CMAKE_BUILD_TYPE MATCHES Debug)
SET(MAIN_OPENMM_LIB ${OPENMM_LIBRARY_NAME})
ENDIF (UNIX AND CMAKE_BUILD_TYPE MATCHES Debug)
TARGET_LINK_LIBRARIES(${SHARED_TARGET} ${MAIN_OPENMM_LIB} ${PTHREADS_LIB})
SET_TARGET_PROPERTIES(${SHARED_TARGET} PROPERTIES LINK_FLAGS "${EXTRA_COMPILE_FLAGS}" COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} -msse4.1 -DOPENMM_CPU_BUILDING_SHARED_LIBRARY")
SET_TARGET_PROPERTIES(${SHARED_TARGET} PROPERTIES LINK_FLAGS "${EXTRA_COMPILE_FLAGS}" COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} -DOPENMM_CPU_BUILDING_SHARED_LIBRARY")
INSTALL_TARGETS(/lib/plugins RUNTIME_DIRECTORY /lib/plugins ${SHARED_TARGET})
platforms/opencl/sharedTarget/CMakeLists.txt
View file @ 76d592d6
......@@ -19,6 +19,6 @@ ELSE (UNIX AND CMAKE_BUILD_TYPE MATCHES Debug)
SET(MAIN_OPENMM_LIB ${OPENMM_LIBRARY_NAME})
ENDIF (UNIX AND CMAKE_BUILD_TYPE MATCHES Debug)
TARGET_LINK_LIBRARIES(${SHARED_TARGET} ${MAIN_OPENMM_LIB} ${OPENCL_LIBRARIES} ${PTHREADS_LIB})
SET_TARGET_PROPERTIES(${SHARED_TARGET} PROPERTIES LINK_FLAGS "${EXTRA_COMPILE_FLAGS}" COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} -msse2 -DOPENMM_OPENCL_BUILDING_SHARED_LIBRARY")
SET_TARGET_PROPERTIES(${SHARED_TARGET} PROPERTIES LINK_FLAGS "${EXTRA_COMPILE_FLAGS}" COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} -DOPENMM_OPENCL_BUILDING_SHARED_LIBRARY")
INSTALL_TARGETS(/lib/plugins RUNTIME_DIRECTORY /lib/plugins ${SHARED_TARGET})
plugins/cpupme/CMakeLists.txt
View file @ 76d592d6
......@@ -67,8 +67,9 @@ FOREACH(subdir ${OPENMM_SOURCE_SUBDIRS})
ENDFOREACH(subdir)
INCLUDE_DIRECTORIES(BEFORE ${CMAKE_CURRENT_SOURCE_DIR}/src)
SET_SOURCE_FILES_PROPERTIES(${SOURCE_FILES} PROPERTIES COMPILE_FLAGS "-msse4.1")
IF (NOT MSVC)
SET_SOURCE_FILES_PROPERTIES(${SOURCE_FILES} PROPERTIES COMPILE_FLAGS "-msse4.1")
ENDIF (NOT MSVC)
# Include FFTW related files.
INCLUDE_DIRECTORIES(${FFTW_INCLUDES})
......
plugins/drude/platforms/opencl/CMakeLists.txt
View file @ 76d592d6
......@@ -109,7 +109,7 @@ ENDIF (UNIX AND CMAKE_BUILD_TYPE MATCHES Debug)
TARGET_LINK_LIBRARIES(${SHARED_TARGET} ${MAIN_OPENMM_LIB} ${OPENCL_LIBRARIES} ${PTHREADS_LIB})
TARGET_LINK_LIBRARIES(${SHARED_TARGET} debug ${OPENMM_LIBRARY_NAME}OpenCL_d optimized ${OPENMM_LIBRARY_NAME}OpenCL)
TARGET_LINK_LIBRARIES(${SHARED_TARGET} debug ${SHARED_DRUDE_TARGET} optimized ${SHARED_DRUDE_TARGET})
SET_TARGET_PROPERTIES(${SHARED_TARGET} PROPERTIES LINK_FLAGS "${EXTRA_COMPILE_FLAGS}" COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} -msse2 -DOPENMM_BUILDING_SHARED_LIBRARY")
SET_TARGET_PROPERTIES(${SHARED_TARGET} PROPERTIES LINK_FLAGS "${EXTRA_COMPILE_FLAGS}" COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} -DOPENMM_BUILDING_SHARED_LIBRARY")
INSTALL(TARGETS ${SHARED_TARGET} DESTINATION ${CMAKE_INSTALL_PREFIX}/lib/plugins)
# Ensure that links to the main OpenCL library will be resolved.
......
plugins/drude/platforms/reference/CMakeLists.txt
View file @ 76d592d6
......@@ -91,7 +91,7 @@ ELSE (UNIX AND CMAKE_BUILD_TYPE MATCHES Debug)
ENDIF (UNIX AND CMAKE_BUILD_TYPE MATCHES Debug)
TARGET_LINK_LIBRARIES(${SHARED_TARGET} ${MAIN_OPENMM_LIB})
TARGET_LINK_LIBRARIES(${SHARED_TARGET} debug ${SHARED_DRUDE_TARGET} optimized ${SHARED_DRUDE_TARGET})
SET_TARGET_PROPERTIES(${SHARED_TARGET} PROPERTIES LINK_FLAGS "${EXTRA_COMPILE_FLAGS}" COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} -msse2 -DOPENMM_BUILDING_SHARED_LIBRARY")
SET_TARGET_PROPERTIES(${SHARED_TARGET} PROPERTIES LINK_FLAGS "${EXTRA_COMPILE_FLAGS}" COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} -DOPENMM_BUILDING_SHARED_LIBRARY")
INSTALL(TARGETS ${SHARED_TARGET} DESTINATION ${CMAKE_INSTALL_PREFIX}/lib/plugins)
SUBDIRS (tests)
plugins/rpmd/platforms/opencl/CMakeLists.txt
View file @ 76d592d6
......@@ -108,7 +108,7 @@ ENDIF (UNIX AND CMAKE_BUILD_TYPE MATCHES Debug)
TARGET_LINK_LIBRARIES(${SHARED_TARGET} ${MAIN_OPENMM_LIB} ${OPENCL_LIBRARIES} ${PTHREADS_LIB})
TARGET_LINK_LIBRARIES(${SHARED_TARGET} debug ${OPENMM_LIBRARY_NAME}OpenCL_d optimized ${OPENMM_LIBRARY_NAME}OpenCL)
TARGET_LINK_LIBRARIES(${SHARED_TARGET} debug ${SHARED_RPMD_TARGET} optimized ${SHARED_RPMD_TARGET})
SET_TARGET_PROPERTIES(${SHARED_TARGET} PROPERTIES LINK_FLAGS "${EXTRA_COMPILE_FLAGS}" COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} -msse2 -DOPENMM_BUILDING_SHARED_LIBRARY")
SET_TARGET_PROPERTIES(${SHARED_TARGET} PROPERTIES LINK_FLAGS "${EXTRA_COMPILE_FLAGS}" COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} -DOPENMM_BUILDING_SHARED_LIBRARY")
INSTALL(TARGETS ${SHARED_TARGET} DESTINATION ${CMAKE_INSTALL_PREFIX}/lib/plugins)
# Ensure that links to the main OpenCL library will be resolved.
......
plugins/rpmd/platforms/reference/CMakeLists.txt
View file @ 76d592d6
......@@ -91,7 +91,7 @@ ELSE (UNIX AND CMAKE_BUILD_TYPE MATCHES Debug)
ENDIF (UNIX AND CMAKE_BUILD_TYPE MATCHES Debug)
TARGET_LINK_LIBRARIES(${SHARED_TARGET} ${MAIN_OPENMM_LIB})
TARGET_LINK_LIBRARIES(${SHARED_TARGET} debug ${SHARED_RPMD_TARGET} optimized ${SHARED_RPMD_TARGET})
SET_TARGET_PROPERTIES(${SHARED_TARGET} PROPERTIES LINK_FLAGS "${EXTRA_COMPILE_FLAGS}" COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} -msse2 -DOPENMM_BUILDING_SHARED_LIBRARY")
SET_TARGET_PROPERTIES(${SHARED_TARGET} PROPERTIES LINK_FLAGS "${EXTRA_COMPILE_FLAGS}" COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} -DOPENMM_BUILDING_SHARED_LIBRARY")
INSTALL(TARGETS ${SHARED_TARGET} DESTINATION ${CMAKE_INSTALL_PREFIX}/lib/plugins)
SUBDIRS (tests)
wrappers/python/filterPythonFiles.py
View file @ 76d592d6
from __future__ import print_function
import sys
# Doxygen does a bad job of generating documentation based on docstrings. This script is run as a filter
......@@ -14,10 +15,10 @@ while True:
split = stripped.split()
if split[0] == 'class' and split[1][0].islower():
# Classes that start with a lowercase letter were defined by SWIG. We want to hide them.
print "%s## @private" % prefix
print("%s## @private" % prefix)
if split[1][0] == '_' and split[1][1] != '_':
# Names starting with a single _ are assumed to be private.
print "%s## @private" % prefix
print("%s## @private" % prefix)
# We're at the start of a class or function definition. Find all lines that contain the declaration.
......@@ -51,9 +52,9 @@ while True:
# Print out the docstring in Doxygen syntax, followed by the declaration.
for s in docstrings:
print "%s##%s" % (prefix, s.strip())
print declaration
print("%s##%s" % (prefix, s.strip()))
print(declaration)
if len(docstrings) == 0:
print line
print(line)
else:
print line
\ No newline at end of file
print(line)
\ No newline at end of file
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