Work

.gitignore

@@ -1,5 +1,8 @@
 *.o
 *.a
+*.so
 *~
 *.ptx
 *.ptxh
+*.cle
+*.clh

Makefile

@@ -0,0 +1,213 @@
+CXX ?= g++
+CC ?= gcc
+PREFIX ?= /usr/local
+
+
+.PHONY: all
+all: libsapporo.a libsapporo.so emulated_interfaces
+
+
+# Detect CUDA
+ifndef CUDA_TK
+    NVCC := $(shell which nvcc || echo NOTFOUND)
+    ifeq ($(NVCC), NOTFOUND)
+        $(info The nvcc command is not available in your shell.)
+        $(info To compile with CUDA, please install it, set up your environment)
+        $(info according to the CUDA installation instructions, and try again.)
+        $(info )
+    else
+        CUDA_TK := $(dir $(NVCC))..
+        CUDA_AVAILABLE := 1
+    endif
+else
+    NVCC ?= $(CUDA_TK)/bin/nvcc
+    CUDA_AVAILABLE := 1
+endif
+
+
+# Detect OpenCL
+OPENCL_LDFLAGS := -lOpenCL
+ifdef OPENCL
+    OPENCL_LDFLAGS := -L$(OPENCL)/lib -lOpenCL
+endif
+
+OPENCL_STATUS := $(shell echo 'int main() {}' | $(CXX) -x c++ $(OPENCL_LDFLAGS) - && rm a.out || echo NOTFOUND)
+
+ifeq ($(OPENCL_STATUS), NOTFOUND)
+    $(info OpenCL support was not detected on the system.)
+    $(info If it is installed in a non-standard location, then set OPENCL to)
+    $(info the installation prefix and try again.)
+    $(info )
+else
+    OPENCL_AVAILABLE := 1
+endif
+
+
+# Select backend
+ifeq ($(filter clean,$(MAKECMDGOALS)),)
+ifndef BACKEND
+    ifdef CUDA_AVAILABLE
+        $(info BACKEND not set and CUDA was detected, using CUDA)
+        BACKEND := CUDA
+    else
+        ifdef OPENCL_AVAILABLE
+            $(info BACKEND not set and OpenCL was detected, using OpenCL)
+            BACKEND := OpenCL
+        else
+            $(error BACKEND not set and neither CUDA nor OpenGL was detected.)
+        endif
+    endif
+else
+    ifeq ($(BACKEND), CUDA)
+        ifndef CUDA_AVAILABLE
+            $(error BACKEND set to CUDA but it was not found.)
+        endif
+        $(info Using selected backend CUDA)
+    else
+        ifeq ($(BACKEND), OpenCL)
+            ifndef OPENCL_AVAILABLE
+                $(error BACKEND set to OpenCL but it was not found.)
+            endif
+        else
+            $(error BACKEND set to unknown value "$(BACKEND)", please use CUDA or OpenCL)
+        endif
+        $(info Using selected backend OpenCL)
+    endif
+endif
+endif
+$(info )
+
+# Testing/optimisation support
+ifdef NTHREADS
+    CXXFLAGS += -DNTHREADS=$(NTHREADS) -DTIMING_STATS=1
+endif
+
+ifdef NBLOCKS_PER_MULTI
+    CXXFLAGS += -DNBLOCKS_PER_MULTI=$(NBLOCKS_PER_MULTI) -DTIMING_STATS=1
+endif
+
+
+# CUDA kernels
+ifeq ($(BACKEND), CUDA)
+
+INCLUDES = -I$(CUDA_TK)
+CXXFLAGS += -D__INCLUDE_KERNELS__
+LDFLAGS += -lcuda -fopenmp
+
+CUDA_SRC = $(wildcard src/CUDA/*.cu)
+PTX = $(CUDA_SRC:src/CUDA/%.cu=src/CUDA/%.ptx)
+PTXH = $(CUDA_SRC:src/CUDA/%.cu=src/CUDA/%.ptxh)
+NVCCFLAGS += -Isrc
+
+KERNELS = $(PTX) $(PTXH)
+
+%.ptx: %.cu
+	$(NVCC) --forward-unknown-to-host-compiler $(CXXFLAGS) $(NVCCFLAGS) -ptx $< -o $@
+
+src/CUDA/%.ptxh: src/CUDA/%.ptx
+	xxd -i $< $@
+
+endif
+
+
+# OpenCL kernels
+ifeq ($(BACKEND), OpenCL)
+
+ifdef OPENCL
+    CXXFLAGS += -I$(OPENCL)/include
+    LDFLAGS += -L$(OPENCL)/lib
+endif
+
+INCLUDES =
+CXXFLAGS += -D_OCL_ -D__INCLUDE_KERNELS__
+LDFLAGS += -lOpenCL -fopenmp
+
+OPENCL_SRC = $(wildcard src/OpenCL/*.cl)
+CLE = $(OPENCL_SRC:src/OpenCL/%.cl=src/OpenCL/%.cle)
+CLH = $(OPENCL_SRC:src/OpenCL/%.cl=src/OpenCL/%.clh)
+
+KERNELS = $(CLE) $(CLH)
+
+%.cle: %.cl
+	$(CC) -E -Isrc -o $@ - <$<
+
+# xxd names the variable after the file name argument, and we expect
+# the variable to not have a src_ prefix, so we have to remove it.
+src/OpenCL/%.clh: src/OpenCL/%.cle
+	cd src && xxd -i $(<:src/%=%) $(@:src/%=%)
+
+endif
+
+
+# Main implementation
+CXX_SRC := $(wildcard src/*.cpp src/SSE_AVX/*.cpp)
+OBJS := $(CXX_SRC:%.cpp=%.o)
+INCLUDES += -Isrc
+CXXFLAGS += $(INCLUDES) -fPIC -g -O3 -Wall -Wextra -Wstrict-aliasing=2 -fopenmp
+
+src/sapporohostclass.o: $(KERNELS)
+
+%.o: %.cpp
+	$(CXX) $(CXXFLAGS) -c $< -o $@
+
+libsapporo.a: $(OBJS)
+	ar qv $@ $^
+
+libsapporo.so: $(OBJS)
+	$(CXX) -o $@ -shared $^ $(LDFLAGS)
+
+
+# API compatibility libraries
+EMU_SRC := $(wildcard src/interfaces/*lib.cpp)
+EMU_STATIC_LIBS := $(EMU_SRC:src/interfaces/%lib.cpp=lib%.a)
+EMU_SHARED_LIBS := $(EMU_SRC:src/interfaces/%lib.cpp=lib%.so)
+
+.PHONY: emulated_interfaces
+emulated_interfaces: $(EMU_STATIC_LIBS) $(EMU_SHARED_LIBS)
+
+$(EMU_STATIC_LIBS): libsapporo.a
+
+$(EMU_SHARED_LIBS): libsapporo.so
+
+
+lib%.a: src/interfaces/%lib.o
+	ar qv $@ $^
+
+lib%.so: src/interfaces/%lib.o
+	$(CXX) -o $@ -shared $^ -L. -lsapporo $(LDFLAGS)
+
+
+# Installation
+INSTALLED_LIBS := $(PREFIX)/lib/libsapporo.a $(PREFIX)/lib/libsapporo.so
+INSTALLED_LIBS += $(EMU_STATIC_LIBS:%.a=$(PREFIX)/lib/%.a)
+INSTALLED_LIBS += $(EMU_SHARED_LIBS:%.so=$(PREFIX)/lib/%.so)
+
+INSTALLED_LIBS: $(PREFIX)/lib
+
+HEADERS := $(wildcard include/*)
+INSTALLED_HEADERS := $(HEADERS:include/%=$(PREFIX)/include/%)
+
+INSTALLED_HEADERS: $(PREFIX)/include
+
+$(PREFIX)/include:
+	mkdir -p $(PREFIX)/include
+
+$(PREFIX)/include/%: include/% $(PREFIX)/include
+	install -m 644 $< $@
+
+$(PREFIX)/lib:
+	mkdir -p $(PREFIX)/lib
+
+$(PREFIX)/lib/%: % $(PREFIX)/lib
+	install -m 644 $< $@
+
+.PHONY: install
+install: $(INSTALLED_LIBS) $(INSTALLED_HEADERS)
+
+
+# Clean-up
+.PHONY: clean
+clean:
+	rm -f *.a *.so src/*.o src/SSE_AVX/SSE/*.o src/SSE_AVX/AVX/*.o
+	rm -f src/CUDA/*.ptx src/CUDA/*.ptxh src/OpenCL/*.cle src/OpenCL/*.clh
+

README.extended

@@ -86,15 +86,33 @@ With some luck a simple 'make' in the lib folder is sufficient to
 build the library, if not then here are some pointers:
 
 CUDA
-To build the CUDA library; Set the 'CUDA_TK' path to the location
-where the CUDA toolkit is installed e.g.. CUDA_TK = /usr/local/cuda and
-type: 'make' .
+
+If CUDA is installed via the nVidia installer, Conda, or HPC modules,
+then it should be detected automatically by the build system. If it
+somehow isn't, then you can try to set 'CUDA_TK' to the location where
+it is installed, e.g.
+
+CUDA_TK=/usr/local/cuda make
+
 
 OpenCL
-To build the CUDA library; Set the 'CUDA_TK' path to the location
-where the cuda or AMD OpenCL toolkit is installed eg. CUDA_TK =
-/usr/local/cuda or CUDA_TK = /opt/AMDAPP/ and type: 'make -f
-Makefile_ocl' .
+
+If OpenCL is installed in a standard location (e.g. via apt or yum),
+then it should be detected automatically by the build system. If it
+isn't, then you can set the 'OPENCL' variable to the location where
+it is installed, e.g.
+
+OPENCL=/opt/opencl make
+
+If both CUDA and OpenCL are detected, then CUDA is used by default.
+To select OpenCL, set BACKEND to OpenCL:
+
+BACKEND=OpenCL make
+
+You can combine these options as well:
+
+BACKEND=OpenCL OPENCL=/home/user/.local make
+
 
 Interfaces:
 The library has built-in support for a couple of default interfaces to

conda/conda_build_config.yaml

@@ -0,0 +1,4 @@
+gpu_backend:
+  - cuda
+  - opencl
+

conda/meta.yaml

@@ -0,0 +1,52 @@
+{% set name = "sapporo2" %}
+{% set version = "0.0.1" %}
+
+package:
+  name: {{ name|lower }}
+  version: {{ version }}
+
+source:
+  path: ../
+  # git_rev: work
+  # git_url: https://github.com/LourensVeen/sapporo2.git
+
+build:
+  number: 0
+  string: {{ gpu_backend }}_{{ PKG_BUILDNUM }}
+
+  script_env:
+    - BACKEND=CUDA                # [gpu_backend == 'cuda']
+    - BACKEND=OpenCL              # [gpu_backend == 'opencl']
+  script: make install
+
+  missing_dso_whitelist:
+    - "*/libcuda.so*"
+
+requirements:
+  build:
+    - {{ compiler('cxx') }}
+    - git
+    - git-lfs
+    - make
+    - cuda-compiler               # [linux and gpu_backend == 'cuda']
+    - pocl                        # [linux and gpu_backend == 'opencl']
+    - vim
+    # - conda-verify
+
+  host:
+    - ocl-icd                     # [linux and gpu_backend == 'opencl']
+
+  run:
+    - cuda-runtime                # [linux and gpu_backend == 'cuda']
+    - libgcc-ng
+    - libstdcxx-ng
+    - _openmp_mutex
+
+test:
+
+about:
+  home: https://github.com/treecode/sapporo2
+  summary: Library for emulating GRAPE6 n-body calculations
+  license: GPL-3.0-only
+  license_family: GPL
+  license_file: LICENSE