Commit 16f10eff authored by one's avatar one
Browse files

tune computeNonbonded launch params

parent 9c6732f0
......@@ -65,16 +65,15 @@ HipNonbondedUtilities::HipNonbondedUtilities(HipContext& context) : context(cont
string errorMessage = "Error initializing nonbonded utilities";
CHECK_RESULT(hipEventCreateWithFlags(&downloadCountEvent, context.getEventFlags()));
CHECK_RESULT(hipHostMalloc((void**) &pinnedCountBuffer, 2*sizeof(unsigned int), context.getHostMallocFlags()));
numForceThreadBlocks = 5*4*context.getMultiprocessors();
forceThreadBlockSize = 64;
findInteractingBlocksThreadBlockSize = context.getSIMDWidth();
numForceThreadBlocks = 16*4*context.getMultiprocessors();
forceThreadBlockSize = 256;
findInteractingBlocksThreadBlockSize = 128;
// When building the neighbor list, we can optionally use large blocks (32 * warpSize atoms) to
// accelerate the process. This makes building the neighbor list faster, but it prevents
// us from sorting atom blocks by size, which leads to a slightly less efficient neighbor
// list. We guess based on system size which will be faster.
useLargeBlocks = (context.getNumAtoms() > 90000);
useLargeBlocks = false;
setKernelSource(HipKernelSources::nonbonded);
}
......
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