Commit e3d94aa2 authored by Lee-Ping Wang's avatar Lee-Ping Wang
Browse files

Fixed error in updateNeighborListSize() when createInteractionKernel() has not...

Fixed error in updateNeighborListSize() when createInteractionKernel() has not been called (e.g. with AmoebaVdwForce)

parent 471cbbf0
...@@ -337,10 +337,12 @@ void CudaNonbondedUtilities::updateNeighborListSize() { ...@@ -337,10 +337,12 @@ void CudaNonbondedUtilities::updateNeighborListSize() {
maxTiles = numTiles; maxTiles = numTiles;
delete interactingTiles; delete interactingTiles;
interactingTiles = CudaArray::create<ushort2>(context, maxTiles, "interactingTiles"); interactingTiles = CudaArray::create<ushort2>(context, maxTiles, "interactingTiles");
if (forceArgs.size() > 0)
forceArgs[8] = &interactingTiles->getDevicePointer(); forceArgs[8] = &interactingTiles->getDevicePointer();
findInteractingBlocksArgs[5] = &interactingTiles->getDevicePointer(); findInteractingBlocksArgs[5] = &interactingTiles->getDevicePointer();
delete interactionFlags; delete interactionFlags;
interactionFlags = CudaArray::create<unsigned int>(context, maxTiles, "interactionFlags"); interactionFlags = CudaArray::create<unsigned int>(context, maxTiles, "interactionFlags");
if (forceArgs.size() > 0)
forceArgs[13] = &interactionFlags->getDevicePointer(); forceArgs[13] = &interactionFlags->getDevicePointer();
findInteractingBlocksArgs[6] = &interactionFlags->getDevicePointer(); findInteractingBlocksArgs[6] = &interactionFlags->getDevicePointer();
findInteractionsWithinBlocksArgs[3] = &interactingTiles->getDevicePointer(); findInteractionsWithinBlocksArgs[3] = &interactingTiles->getDevicePointer();
......
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