Merge pull request #1212 from rmcgibbo/cl2

Enable testing of OpenCL platform on Travis-CI

.travis.yml

 language: python
-python:
-  - "2.7_with_system_site_packages"
-  - "3.4"
 
-sudo: false
 addons:
   apt:
-    sources:
-      - ubuntu-toolchain-r-test
     packages:
-      - libpcre3
-      - libpcre3-dev
       - gromacs
       - doxygen
       - python-numpy
       - python-scipy
 
+matrix:
+  include:
+    - sudo: required
+      env: OPENCL=true
+           CC=gcc
+           CXX=g++
+           CMAKE_FLAGS="
+           -OPENMM_BUILD_OPENCL_LIB=ON
+           -DOPENMM_BUILD_OPENCL_TESTS=ON
+           -DOPENMM_BUILD_STATIC_LIB=OFF
+           -DOPENMM_BUILD_CPU_LIB=OFF
+           -DOPENMM_BUILD_REFERENCE_TESTS=OFF
+           -DOPENMM_BUILD_SERIALIZATION_TESTS=OFF
+           -DOPENMM_BUILD_PME_PLUGIN=OFF
+           -DOPENMM_BUILD_AMOEBA_PLUGIN=OFF
+           -DOPENMM_BUILD_PYTHON_WRAPPERS=OFF
+           -DOPENMM_BUILD_C_AND_FORTRAN_WRAPPERS=OFF
+           -DOPENMM_BUILD_EXAMPLES=OFF"
+      addons: {apt: {packages: []}}
 
-env:
-  matrix:
-    - OPENMM_BUILD_STATIC_LIB="OFF"
-    - OPENMM_BUILD_STATIC_LIB="ON"
+    - sudo: false
+      python: 2.7_with_system_site_packages
+      env: OPENCL=false
+           CC=clang
+           CXX=clang++
+           CMAKE_FLAGS="-DOPENMM_BUILD_STATIC_LIB=ON"
 
-before_install:
-  - export CC=clang
-  - export CXX=clang++
+    - sudo: false
+      python: 2.7_with_system_site_packages
+      env: OPENCL=false
+           CC=clang
+           CXX=clang++
+           CMAKE_FLAGS="-DOPENMM_BUILD_STATIC_LIB=OFF"
+
+    - sudo: false
+      python: 3.4
+      env: OPENCL=false
+           CC=gcc
+           CXX=g++
+           CMAKE_FLAGS="-DOPENMM_BUILD_STATIC_LIB=OFF"
 
-  - wget https://anaconda.org/anaconda/swig/3.0.2/download/linux-64/swig-3.0.2-0.tar.bz2
-  - mkdir $HOME/swig
-  - tar -xjvf swig-3.0.2-0.tar.bz2 -C $HOME/swig
-  - export PATH=$HOME/swig/bin:$PATH
-  - export SWIG_LIB=$HOME/swig/share/swig/3.0.2
+before_install:
+  - if [[ "$OPENCL" == "true" ]]; then
+      sudo apt-get -yq update &>> ~/apt-get-update.log;
+      sudo apt-get install -qq fglrx=2:8.960-0ubuntu1 opencl-headers;
+    fi
+  - if [[ "$OPENCL" == "false" ]]; then
+      wget https://anaconda.org/anaconda/swig/3.0.2/download/linux-64/swig-3.0.2-0.tar.bz2;
+      mkdir $HOME/swig;
+      tar -xjvf swig-3.0.2-0.tar.bz2 -C $HOME/swig;
+      export PATH=$HOME/swig/bin:$PATH;
+      export SWIG_LIB=$HOME/swig/share/swig/3.0.2;
+    fi
 
 script:
-  - cmake -DCMAKE_INSTALL_PREFIX=$HOME/OpenMM -DOPENMM_BUILD_STATIC_LIB=$OPENMM_BUILD_STATIC_LIB .
-  - make -j2
+  - CTEST_STOP_TIME=$(python -c "from datetime import datetime, timedelta; import sys; sys.stdout.write((datetime.now() + timedelta(minutes=25)).strftime('%H:%M:%S'))")
+  - cmake . $CMAKE_FLAGS -DCMAKE_INSTALL_PREFIX=$HOME/OpenMM
+
   - make -j2 install
-  - make PythonInstall
-  - # Run the testInstallation script
-  - python -m simtk.testInstallation
+  - if [[ "$OPENCL" == "true" ]]; then ./TestOpenCLDeviceQuery; fi
+  - if [[ "$OPENCL" == "false" ]]; then
+      make PythonInstall;
+      python -m simtk.testInstallation;
+      (cd python/tests && py.test -v *);
+    fi
+
   - # run all of the tests, making sure failures at this stage don't cause travis failures
-  - ctest -j2 || true
+  - ctest -j2 --output-on-failure --schedule-random --stop-time $CTEST_STOP_TIME || true
   - # get a list of all of the failed tests into this stupid ctest format
   - python -c "import os; fn = os.path.join('Testing', 'Temporary', 'LastTestsFailed.log'); os.path.exists(fn) or exit(0); failed = [line.split(':')[0] for line in open(fn)]; print(','.join(x+','+x for x in failed))" > FailedTests.log
-  - # rerun all of the failed tests
-  - if [ -s Testing/Temporary/LastTestsFailed.log ]; then ctest -I FailedTests.log; fi;
-  - # run the python tests too
-  - cd python/tests  
-  - # nosetests -vv --processes=-1 --process-timeout=200
-  - # nosetests -vv
-  - py.test -v *
-  - cd -
+  - if [ -s Testing/Temporary/LastTestsFailed.log ]; then
+      ctest -I FailedTests.log;
+    fi

CMakeLists.txt

@@ -341,9 +341,14 @@ ENDIF(DL_LIBRARY)
 
 IF(BUILD_TESTING)
     INCLUDE_DIRECTORIES(${CMAKE_SOURCE_DIR}/tests)
-    ADD_SUBDIRECTORY(platforms/reference/tests)
 ENDIF(BUILD_TESTING)
 
+set(OPENMM_BUILD_REFERENCE_TESTS TRUE CACHE BOOL "Whether to build Reference platform test cases")
+MARK_AS_ADVANCED(OPENMM_BUILD_REFERENCE_TESTS)
+IF(BUILD_TESTING AND OPENMM_BUILD_REFERENCE_TESTS)
+    ADD_SUBDIRECTORY(platforms/reference/tests)
+ENDIF(BUILD_TESTING AND OPENMM_BUILD_REFERENCE_TESTS)
+
 # Which hardware platforms to build
 
 # A bit of tedium because we are using custom FindCUDA files that happen to work...

platforms/cpu/CMakeLists.txt

@@ -12,9 +12,11 @@
 #   libOpenMMCPU_static.a
 #----------------------------------------------------
 
-IF(BUILD_TESTING)
+SET(OPENMM_BUILD_CPU_TESTS TRUE CACHE BOOL "Whether to build CPU platform test cases")
+MARK_AS_ADVANCED(OPENMM_BUILD_CPU_TESTS)
+IF(BUILD_TESTING AND OPENMM_BUILD_CPU_TESTS)
     SUBDIRS(tests)
-ENDIF(BUILD_TESTING)
+ENDIF(BUILD_TESTING AND OPENMM_BUILD_CPU_TESTS)
 
 # The source is organized into subdirectories, but we handle them all from
 # this CMakeLists file rather than letting CMake visit them as SUBDIRS.

platforms/opencl/tests/TestOpenCLDeviceQuery.cpp

+/**
+ * This file is adapted from vexcl's (https://github.com/ddemidov/vexcl)
+ * example "devlist.cpp", which is
+ *
+ * Copyright (c) 2012-2014 Denis Demidov <dennis.demidov@gmail.com>
+ *
+ * Permission is hereby granted, free of charge, to any person obtaining a copy
+ * of this software and associated documentation files (the "Software"), to deal
+ * in the Software without restriction, including without limitation the rights
+ * to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+ * copies of the Software, and to permit persons to whom the Software is
+ * furnished to do so, subject to the following conditions:
+ *
+ * The above copyright notice and this permission notice shall be included in
+ * all copies or substantial portions of the Software.
+ *
+ * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+ * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+ * FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT.  IN NO EVENT SHALL THE
+ * AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+ * LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+ * OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
+ * THE SOFTWARE.
+ */
+
+#include <iostream>
+#include <iomanip>
+#include <sstream>
+#include <iterator>
+#include <set>
+#include <algorithm>
+#include <vector>
+
+#include "OpenCLContext.h"
+
+using namespace std;
+
+#define SHOW_DEVPROP(name)                                      \
+    cout << "    " << left << setw(32) << #name << " = "        \
+    << d.getInfo< name >() << endl
+
+
+int main() {
+    std::vector<cl::Platform> platforms;
+    cl::Platform::get(&platforms);
+    cout << "OpenCL devices:" << endl << endl;
+
+    for (int j = 0; j < platforms.size(); j++) {
+        vector<cl::Device> devices;
+        platforms[j].getDevices(CL_DEVICE_TYPE_ALL, &devices);
+
+        for (int i = 0; i < devices.size(); i++) {
+            cl::Device d = devices[i];
+            cout << "OpenCLPlatformIndex " << j << ", OpenCLDeviceIndex " << i << ": \"" << d.getInfo<CL_DEVICE_NAME>()
+                 << "\"" << endl << "    " << left << setw(32) << "CL_PLATFORM_NAME" << " = "
+                 << cl::Platform(d.getInfo<CL_DEVICE_PLATFORM>()).getInfo<CL_PLATFORM_NAME>()
+                 << endl
+                 << "    " << left << setw(32) << "CL_PLATFORM_VENDOR" << " = "
+                 << platforms[j].getInfo<CL_PLATFORM_VENDOR>()
+                 << endl;
+
+            SHOW_DEVPROP(CL_DEVICE_VENDOR);
+            SHOW_DEVPROP(CL_DEVICE_VERSION);
+            cout << "    " << left << setw(32) << "CL_DEVICE_TYPE" << " = ";
+            if (d.getInfo<CL_DEVICE_TYPE>() == CL_DEVICE_TYPE_CPU) {
+                cout << "CL_DEVICE_TYPE_CPU" << endl;
+            } else if (d.getInfo<CL_DEVICE_TYPE>() == CL_DEVICE_TYPE_GPU) {
+                cout << "CL_DEVICE_TYPE_GPU" << endl;
+            } else if (d.getInfo<CL_DEVICE_TYPE>() == CL_DEVICE_TYPE_ACCELERATOR) {
+                cout << "CL_DEVICE_TYPE_ACCELERATOR" << endl;
+            } else {
+                cout << "Unknown" << endl;
+            }
+
+
+            SHOW_DEVPROP(CL_DEVICE_MAX_COMPUTE_UNITS);
+            cout << "    " << left << setw(32) << "CL_DEVICE_MAX_WORK_ITEM_SIZES" << " = [";
+            for (int k = 0; k < d.getInfo<CL_DEVICE_MAX_WORK_ITEM_SIZES>().size(); k++) {
+                cout << d.getInfo<CL_DEVICE_MAX_WORK_ITEM_SIZES>()[k];
+                if (k < d.getInfo<CL_DEVICE_MAX_WORK_ITEM_SIZES>().size() - 1)
+                    cout << ", ";
+            }
+            cout << "]" << endl;
+
+            SHOW_DEVPROP(CL_DEVICE_HOST_UNIFIED_MEMORY);
+            SHOW_DEVPROP(CL_DEVICE_GLOBAL_MEM_SIZE);
+            SHOW_DEVPROP(CL_DEVICE_LOCAL_MEM_SIZE);
+            SHOW_DEVPROP(CL_DEVICE_MAX_MEM_ALLOC_SIZE);
+            SHOW_DEVPROP(CL_DEVICE_ADDRESS_BITS);
+            SHOW_DEVPROP(CL_DEVICE_MAX_CLOCK_FREQUENCY);
+
+            int processingElementsPerComputeUnit;
+            if (d.getInfo<CL_DEVICE_TYPE>() != CL_DEVICE_TYPE_GPU) {
+                processingElementsPerComputeUnit = 1;
+            } else if  (d.getInfo<CL_DEVICE_EXTENSIONS>().find("cl_nv_device_attribute_query") != string::npos) {
+                cl_uint computeCapabilityMajor;
+#ifdef CL_DEVICE_COMPUTE_CAPABILITY_MAJOR_NV
+                clGetDeviceInfo(d(), CL_DEVICE_COMPUTE_CAPABILITY_MAJOR_NV, sizeof(cl_uint), &computeCapabilityMajor, NULL);
+                processingElementsPerComputeUnit = (computeCapabilityMajor < 2 ? 8 : 32);
+#endif
+            } else if (d.getInfo<CL_DEVICE_EXTENSIONS>().find("cl_amd_device_attribute_query") != string::npos) {
+#ifdef CL_DEVICE_SIMD_PER_COMPUTE_UNIT_AMD
+                try {
+                    processingElementsPerComputeUnit = d.getInfo<CL_DEVICE_SIMD_PER_COMPUTE_UNIT_AMD>() *
+                        d.getInfo<CL_DEVICE_SIMD_WIDTH_AMD>() *
+                        d.getInfo<CL_DEVICE_SIMD_INSTRUCTION_WIDTH_AMD>();
+                } catch (cl::Error err) {}
+#endif
+            }
+            cout << "    processingElementsPerComputeUnit" << " = " << processingElementsPerComputeUnit << endl;
+            int speed = devices[i].getInfo<CL_DEVICE_MAX_COMPUTE_UNITS>()*processingElementsPerComputeUnit*d.getInfo<CL_DEVICE_MAX_CLOCK_FREQUENCY>();
+            cout << "    estimatedSpeed                   = " << speed << endl;
+
+
+            cout << "    " << left << setw(32) << "CL_DEVICE_EXTENSIONS" << " = ";
+            istringstream iss(d.getInfo<CL_DEVICE_EXTENSIONS>());
+            set<string> extensions;
+
+            extensions.insert(istream_iterator<string>(iss), istream_iterator<string>());
+            size_t w = 40;
+            for (set<string>::iterator s = extensions.begin(); s != extensions.end(); ++s) {
+                w += s->length() + 1;
+                if (w > 80) {
+                    cout << endl << setw(w = 8) << "";
+                    w += s->length() + 1;
+                }
+                cout << *s << " ";
+            }
+            cout << endl << endl;
+        }
+    }
+}

plugins/amoeba/CMakeLists.txt

@@ -40,7 +40,7 @@ SET(API_AMOEBA_INCLUDE_DIRS) # start empty
 FOREACH(subdir ${OPENMM_AMOEBA_PLUGIN_SOURCE_SUBDIRS})
     # append
     SET(API_AMOEBA_INCLUDE_DIRS ${API_AMOEBA_INCLUDE_DIRS}
-                                     ${CMAKE_CURRENT_SOURCE_DIR}/${subdir}/include 
+                                     ${CMAKE_CURRENT_SOURCE_DIR}/${subdir}/include
                                      ${CMAKE_CURRENT_SOURCE_DIR}/${subdir}/include/internal)
 ENDFOREACH(subdir)
 
@@ -162,6 +162,6 @@ ELSE (EXECUTABLE_OUTPUT_PATH)
   SET (TEST_PATH .)
 ENDIF (EXECUTABLE_OUTPUT_PATH)
 
-IF(BUILD_TESTING)
+IF(BUILD_TESTING AND OPENMM_BUILD_SERIALIZATION_TESTS)
     ADD_SUBDIRECTORY(serialization/tests)
-ENDIF(BUILD_TESTING)
+ENDIF(BUILD_TESTING AND OPENMM_BUILD_SERIALIZATION_TESTS)

plugins/amoeba/platforms/reference/CMakeLists.txt

@@ -75,6 +75,6 @@ SET_TARGET_PROPERTIES(${SHARED_TARGET} PROPERTIES LINK_FLAGS "${EXTRA_LINK_FLAGS
 
 INSTALL(TARGETS ${SHARED_TARGET} DESTINATION ${CMAKE_INSTALL_PREFIX}/lib/plugins)
 
-IF(BUILD_TESTING)
+IF(BUILD_TESTING AND OPENMM_BUILD_REFERENCE_TESTS)
     SUBDIRS (tests)
-ENDIF(BUILD_TESTING)
+ENDIF(BUILD_TESTING AND OPENMM_BUILD_REFERENCE_TESTS)

plugins/drude/CMakeLists.txt

@@ -145,6 +145,6 @@ ENDIF (EXECUTABLE_OUTPUT_PATH)
 
 #INCLUDE(ApiDoxygen.cmake)
 
-IF(BUILD_TESTING)
+IF(BUILD_TESTING AND OPENMM_BUILD_SERIALIZATION_TESTS)
     ADD_SUBDIRECTORY(serialization/tests)
-ENDIF(BUILD_TESTING)
+ENDIF(BUILD_TESTING AND OPENMM_BUILD_SERIALIZATION_TESTS)

plugins/drude/platforms/reference/CMakeLists.txt

@@ -75,6 +75,6 @@ SET_TARGET_PROPERTIES(${SHARED_TARGET} PROPERTIES LINK_FLAGS "${EXTRA_LINK_FLAGS
 
 INSTALL(TARGETS ${SHARED_TARGET} DESTINATION ${CMAKE_INSTALL_PREFIX}/lib/plugins)
 
-IF(BUILD_TESTING)
+IF(BUILD_TESTING AND OPENMM_BUILD_REFERENCE_TESTS)
     SUBDIRS (tests)
-ENDIF(BUILD_TESTING)
+ENDIF(BUILD_TESTING AND OPENMM_BUILD_REFERENCE_TESTS)

plugins/rpmd/platforms/reference/CMakeLists.txt

@@ -75,6 +75,6 @@ SET_TARGET_PROPERTIES(${SHARED_TARGET} PROPERTIES LINK_FLAGS "${EXTRA_LINK_FLAGS
 
 INSTALL(TARGETS ${SHARED_TARGET} DESTINATION ${CMAKE_INSTALL_PREFIX}/lib/plugins)
 
-IF(BUILD_TESTING)
+IF(BUILD_TESTING AND OPENMM_BUILD_REFERENCE_TESTS)
     SUBDIRS (tests)
-ENDIF(BUILD_TESTING)
+ENDIF(BUILD_TESTING AND OPENMM_BUILD_REFERENCE_TESTS)

serialization/CMakeLists.txt

@@ -6,6 +6,8 @@ INSTALL_FILES(/include/openmm/serialization FILES ${CMAKE_CURRENT_SOURCE_DIR}/in
 INSTALL_FILES(/include/openmm/serialization FILES ${CMAKE_CURRENT_SOURCE_DIR}/include/openmm/serialization/SerializationProxy.h)
 INSTALL_FILES(/include/openmm/serialization FILES ${CMAKE_CURRENT_SOURCE_DIR}/include/openmm/serialization/XmlSerializer.h)
 
-IF(BUILD_TESTING)
+SET(OPENMM_BUILD_SERIALIZATION_TESTS TRUE CACHE BOOL "Whether to build serialization test cases")
+MARK_AS_ADVANCED(OPENMM_BUILD_SERIALIZATION_TESTS)
+IF(BUILD_TESTING AND OPENMM_BUILD_SERIALIZATION_TESTS)
     ADD_SUBDIRECTORY(tests)
-ENDIF(BUILD_TESTING)
+ENDIF(BUILD_TESTING AND OPENMM_BUILD_SERIALIZATION_TESTS)