Merge pull request #43 from peastman/queue

Removed separate queue for uploading forces
openmm · Jan 17, 2021 · e253b70 · e253b70
2 parents cf4efd7 + 0c0aeed
commit e253b70
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Showing 2 changed files with 1 addition and 8 deletions.
diff --git a/platforms/opencl/src/OpenCLPlumedKernels.cpp b/platforms/opencl/src/OpenCLPlumedKernels.cpp
@@ -81,7 +81,6 @@ OpenCLCalcPlumedForceKernel::~OpenCLCalcPlumedForceKernel() {
 }
 
 void OpenCLCalcPlumedForceKernel::initialize(const System& system, const PlumedForce& force) {
-    queue = cl::CommandQueue(cl.getContext(), cl.getDevice());
     int elementSize = (cl.getUseDoublePrecision() ? sizeof(double) : sizeof(float));
     plumedForces = new OpenCLArray(cl, 3*system.getNumParticles(), elementSize, "plumedForces");
     map<string, string> defines;
@@ -227,7 +226,7 @@ void OpenCLCalcPlumedForceKernel::executeOnWorkerThread() {
             buffer[3*i+2] = (float) p[2];
         }
     }
-    queue.enqueueWriteBuffer(plumedForces->getDeviceBuffer(), CL_FALSE, 0, plumedForces->getSize()*plumedForces->getElementSize(), cl.getPinnedBuffer(), NULL, &syncEvent);
+    plumedForces->upload(cl.getPinnedBuffer(), false);
 }
 
 double OpenCLCalcPlumedForceKernel::addForces(bool includeForces, bool includeEnergy, int groups) {
@@ -237,10 +236,6 @@ double OpenCLCalcPlumedForceKernel::addForces(bool includeForces, bool includeEn
     // Wait until executeOnWorkerThread() is finished.
 
     cl.getWorkThread().flush();
-    vector<cl::Event> events(1);
-    events[0] = syncEvent;
-    syncEvent = cl::Event();
-    queue.enqueueWaitForEvents(events);
 
     // Add in the forces.
 

diff --git a/platforms/opencl/src/OpenCLPlumedKernels.h b/platforms/opencl/src/OpenCLPlumedKernels.h
@@ -88,8 +88,6 @@ class OpenCLCalcPlumedForceKernel : public CalcPlumedForceKernel {
     OpenMM::OpenCLContext& cl;
     OpenMM::OpenCLArray* plumedForces;
     cl::Kernel addForcesKernel;
-    cl::CommandQueue queue;
-    cl::Event syncEvent;
     int lastStepIndex, forceGroupFlag;
     std::vector<double> masses, charges;
     std::vector<OpenMM::Vec3> positions, forces;