Bug fix

platforms/opencl/src/OpenCLIntegrationUtilities.h

@@ -27,7 +27,7 @@
  * along with this program.  If not, see <http://www.gnu.org/licenses/>.      *
  * -------------------------------------------------------------------------- */
 
-#include "OpenMM/System.h"
+#include "openmm/System.h"
 #include "OpenCLContext.h"
 
 namespace OpenMM {

platforms/opencl/src/OpenCLKernels.cpp

@@ -949,7 +949,7 @@ void OpenCLIntegrateLangevinStepKernel::execute(ContextImpl& context, const Lang
     kernel1.setArg<cl::Buffer>(7, xVector->getDeviceBuffer());
     kernel1.setArg<cl::Buffer>(8, vVector->getDeviceBuffer());
     kernel1.setArg<cl::Buffer>(9,integration.getRandom().getDeviceBuffer());
-    kernel1.setArg<cl_uint>(10, integration.prepareRandomNumbers(2*numAtoms));
+    kernel1.setArg<cl_uint>(10, integration.prepareRandomNumbers(2*cl.getPaddedNumAtoms()));
     cl.executeKernel(kernel1, numAtoms);
 
     // Apply constraints.
@@ -966,7 +966,7 @@ void OpenCLIntegrateLangevinStepKernel::execute(ContextImpl& context, const Lang
     kernel2.setArg<cl::Buffer>(5, xVector->getDeviceBuffer());
     kernel2.setArg<cl::Buffer>(6, vVector->getDeviceBuffer());
     kernel2.setArg<cl::Buffer>(7,integration.getRandom().getDeviceBuffer());
-    kernel2.setArg<cl_uint>(8, integration.prepareRandomNumbers(2*numAtoms));
+    kernel2.setArg<cl_uint>(8, integration.prepareRandomNumbers(2*cl.getPaddedNumAtoms()));
     cl.executeKernel(kernel2, numAtoms);
 
     // Reapply constraints.

platforms/opencl/tests/TestOpenCLRandom.cpp

@@ -37,7 +37,7 @@
 #include "../src/OpenCLArray.h"
 #include "../src/OpenCLContext.h"
 #include "../src/OpenCLIntegrationUtilities.h"
-#include "OpenMM/System.h"
+#include "openmm/System.h"
 #include <iostream>
 
 using namespace OpenMM;