Build with Intel compilers

platforms/opencl/src/cl.hpp

@@ -143,6 +143,7 @@
  */
 #ifndef CL_HPP_
 #define CL_HPP_
+#define CL_USE_DEPRECATED_OPENCL_2_0_APIS
 
 #ifdef _WIN32
 

platforms/opencl/tests/TestOpenCLVirtualSites.cpp

@@ -80,8 +80,8 @@ void testMasslessParticle() {
     for (int i = 0; i < 1000; ++i) {
         State state = context.getState(State::Positions | State::Velocities | State::Forces);
         double time = state.getTime();
-        ASSERT_EQUAL_VEC(Vec3(), state.getPositions()[0], 0.0);
-        ASSERT_EQUAL_VEC(Vec3(), state.getVelocities()[0], 0.0);
+        ASSERT_EQUAL_VEC(Vec3(0, 0, 0), state.getPositions()[0], 0.0);
+        ASSERT_EQUAL_VEC(Vec3(0, 0, 0), state.getVelocities()[0], 0.0);
         ASSERT_EQUAL_VEC(Vec3(cos(time), sin(time), 0), state.getPositions()[1], 0.01);
         ASSERT_EQUAL_VEC(Vec3(-sin(time), cos(time), 0), state.getVelocities()[1], 0.01);
         integrator.step(1);

plugins/cpupme/src/CpuPmeKernels.cpp

@@ -39,6 +39,7 @@
 #include <cmath>
 #include <cstring>
 #include <sstream>
+#include <cstdlib>
 
 using namespace OpenMM;
 using namespace std;

plugins/rpmd/platforms/opencl/tests/TestOpenCLRpmd.cpp

@@ -194,7 +194,7 @@ void testParaHydrogen() {
         
         // Calculate the quantum contribution to the kinetic energy.
         
-        vector<Vec3> centroids(numParticles, Vec3());
+        vector<Vec3> centroids(numParticles, Vec3(0,0,0));
         for (int i = 0; i < numCopies; i++) {
             const vector<Vec3>& pos = states[i].getPositions();
             for (int j = 0; j < numParticles; j++)
@@ -272,7 +272,7 @@ void testCMMotionRemoval() {
             pos += calcCM(state.getPositions(), system);
         }
         pos *= 1.0/numCopies;
-        ASSERT_EQUAL_VEC(Vec3(), pos, 0.5);
+        ASSERT_EQUAL_VEC(Vec3(0,0,0), pos, 0.5);
     }
 }
 

plugins/rpmd/platforms/reference/tests/TestReferenceRpmd.cpp

@@ -155,7 +155,7 @@ void testCMMotionRemoval() {
             pos += calcCM(state.getPositions(), system);
         }
         pos *= 1.0/numCopies;
-        ASSERT_EQUAL_VEC(Vec3(), pos, 0.5);
+        ASSERT_EQUAL_VEC(Vec3(0,0,0), pos, 0.5);
     }
 }
 
@@ -206,7 +206,7 @@ void testVirtualSites() {
                     int index = k+gridSize*(j+gridSize*i);
                     positions[3*index] = pos;
                     positions[3*index+1] = Vec3(pos[0]+1.0, pos[1], pos[2]);
-                    positions[3*index+2] = Vec3();
+                    positions[3*index+2] = Vec3(0,0,0);
                 }
         integ.setPositions(copy, positions);
     }