Updated to latest version of OpenCL C++ API (#2962)

platforms/opencl/include/OpenCLArray.h

@@ -27,12 +27,13 @@
  * along with this program.  If not, see <http://www.gnu.org/licenses/>.      *
  * -------------------------------------------------------------------------- */
 
-#define __CL_ENABLE_EXCEPTIONS
-#define CL_USE_DEPRECATED_OPENCL_1_1_APIS
+#define CL_HPP_ENABLE_EXCEPTIONS
+#define CL_HPP_TARGET_OPENCL_VERSION 120
+#define CL_HPP_MINIMUM_OPENCL_VERSION 120
 #include "openmm/OpenMMException.h"
 #include "openmm/common/windowsExportCommon.h"
 #include "openmm/common/ArrayInterface.h"
-#include <cl.hpp>
+#include <opencl.hpp>
 #include <iostream>
 #include <sstream>
 #include <vector>

platforms/opencl/include/OpenCLContext.h

@@ -29,8 +29,9 @@
 
 #include <map>
 #include <string>
-#define __CL_ENABLE_EXCEPTIONS
-#define CL_USE_DEPRECATED_OPENCL_1_1_APIS
+#define CL_HPP_ENABLE_EXCEPTIONS
+#define CL_HPP_TARGET_OPENCL_VERSION 120
+#define CL_HPP_MINIMUM_OPENCL_VERSION 120
 #ifndef CL_DEVICE_SIMD_PER_COMPUTE_UNIT_AMD
   #define CL_DEVICE_SIMD_PER_COMPUTE_UNIT_AMD 0x4040
 #endif
@@ -48,7 +49,7 @@
     #define NOMINMAX
 #endif
 #include <pthread.h>
-#include <cl.hpp>
+#include <opencl.hpp>
 #include "openmm/common/windowsExportCommon.h"
 #include "OpenCLArray.h"
 #include "OpenCLBondedUtilities.h"

platforms/opencl/include/OpenCLKernel.h

@@ -29,7 +29,6 @@
 
 #include "OpenCLArray.h"
 #include "OpenCLContext.h"
-#include <cl.hpp>
 #include <string>
 #include <vector>
 

platforms/opencl/include/OpenCLNonbondedUtilities.h

@@ -31,7 +31,6 @@
 #include "OpenCLArray.h"
 #include "OpenCLExpressionUtilities.h"
 #include "openmm/common/NonbondedUtilities.h"
-#include <cl.hpp>
 #include <sstream>
 #include <string>
 #include <vector>

platforms/opencl/src/OpenCLContext.cpp

@@ -614,10 +614,7 @@ cl::Program OpenCLContext::createProgram(const string source, const map<string,
     if (!defines.empty())
         src << endl;
     src << source << endl;
-    // Get length before using c_str() to avoid length() call invalidating the c_str() value.
-    string src_string = src.str();
-    ::size_t src_length = src_string.length();
-    cl::Program::Sources sources(1, make_pair(src_string.c_str(), src_length));
+    cl::Program::Sources sources({src.str()});
     cl::Program program(context, sources);
     try {
         program.build(vector<cl::Device>(1, device), options.c_str());

platforms/opencl/src/OpenCLEvent.cpp

@@ -32,7 +32,7 @@ OpenCLEvent::OpenCLEvent(OpenCLContext& context) : context(context) {
 }
 
 void OpenCLEvent::enqueue() {
-    context.getQueue().enqueueMarker(&event);
+    context.getQueue().enqueueMarkerWithWaitList(NULL, &event);
 }
 
 void OpenCLEvent::wait() {

platforms/opencl/src/OpenCLIntegrationUtilities.cpp

@@ -26,7 +26,6 @@
 
 #include "OpenCLIntegrationUtilities.h"
 #include "OpenCLContext.h"
-#include <cl.hpp>
 
 using namespace OpenMM;
 using namespace std;

platforms/opencl/src/OpenCLKernels.cpp

@@ -60,7 +60,7 @@ static void setPosqCorrectionArg(OpenCLContext& cl, cl::Kernel& kernel, int inde
     if (cl.getUseMixedPrecision())
         kernel.setArg<cl::Buffer>(index, cl.getPosqCorrection().getDeviceBuffer());
     else
-        kernel.setArg<void*>(index, NULL);
+        kernel.setArg(index, sizeof(void*), NULL);
 }
 
 static void setPeriodicBoxSizeArg(OpenCLContext& cl, cl::Kernel& kernel, int index) {
@@ -598,8 +598,8 @@ public:
     void computeForceAndEnergy(bool includeForces, bool includeEnergy, int groups) {
         if ((groups&(1<<forceGroup)) != 0) {
             vector<cl::Event> events(1);
-            cl.getQueue().enqueueMarker(&events[0]);
-            queue.enqueueWaitForEvents(events);
+            cl.getQueue().enqueueMarkerWithWaitList(NULL, &events[0]);
+            queue.enqueueBarrierWithWaitList(&events);
         }
     }
 private:
@@ -624,7 +624,7 @@ public:
             vector<cl::Event> events(1);
             events[0] = event;
             event = cl::Event();
-            cl.getQueue().enqueueWaitForEvents(events);
+            cl.getQueue().enqueueBarrierWithWaitList(&events);
             if (includeEnergy)
                 cl.executeKernel(addEnergyKernel, pmeEnergyBuffer.getSize());
         }
@@ -1320,8 +1320,8 @@ double OpenCLCalcNonbondedForceKernel::execute(ContextImpl& context, bool includ
             cl.executeKernel(computeExclusionParamsKernel, exclusionParams.getSize());
         if (usePmeQueue) {
             vector<cl::Event> events(1);
-            cl.getQueue().enqueueMarker(&events[0]);
-            pmeQueue.enqueueWaitForEvents(events);
+            cl.getQueue().enqueueMarkerWithWaitList(NULL, &events[0]);
+            pmeQueue.enqueueBarrierWithWaitList(&events);
         }
         if (hasOffsets)
             energy = 0.0; // The Ewald self energy was computed in the kernel.
@@ -1563,7 +1563,7 @@ double OpenCLCalcNonbondedForceKernel::execute(ContextImpl& context, bool includ
                 cl.executeKernel(pmeDispersionInterpolateForceKernel, cl.getNumAtoms());
         }
         if (usePmeQueue) {
-            pmeQueue.enqueueMarker(&pmeSyncEvent);
+            pmeQueue.enqueueMarkerWithWaitList(NULL, &pmeSyncEvent);
             cl.restoreDefaultQueue();
         }
     }
@@ -1852,8 +1852,8 @@ void OpenCLCalcCustomCVForceKernel::copyState(ContextImpl& context, ContextImpl&
             copyStateKernel.setArg<cl::Buffer>(5, cl2.getPosqCorrection().getDeviceBuffer());
         }
         else {
-            copyStateKernel.setArg<void*>(1, NULL);
-            copyStateKernel.setArg<void*>(5, NULL);
+            copyStateKernel.setArg(1, sizeof(void*), NULL);
+            copyStateKernel.setArg(5, sizeof(void*), NULL);
         }
 
         copyForcesKernel.setArg<cl::Buffer>(1, invAtomOrder.getDeviceBuffer());

platforms/opencl/tests/TestOpenCLNonbondedForce.cpp

@@ -29,9 +29,12 @@
  * USE OR OTHER DEALINGS IN THE SOFTWARE.                                     *
  * -------------------------------------------------------------------------- */
 
+#define CL_HPP_ENABLE_EXCEPTIONS
+#define CL_HPP_TARGET_OPENCL_VERSION 120
+#define CL_HPP_MINIMUM_OPENCL_VERSION 120
 #include "OpenCLTests.h"
 #include "TestNonbondedForce.h"
-#include <cl.hpp>
+#include <opencl.hpp>
 #include <string>
 
 void testParallelComputation(NonbondedForce::NonbondedMethod method) {