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38 * Data management and kernel launch functions for nbnxm sycl.
40 * \ingroup module_nbnxm
44 #include "gromacs/nbnxm/gpu_common.h"
45 #include "gromacs/utility/exceptions.h"
47 #include "nbnxm_sycl_kernel.h"
48 #include "nbnxm_sycl_kernel_pruneonly.h"
49 #include "nbnxm_sycl_types.h"
54 void gpu_launch_kernel_pruneonly(NbnxmGpu* nb, const InteractionLocality iloc, const int numParts)
56 gpu_plist* plist = nb->plist[iloc];
58 if (plist->haveFreshList)
60 GMX_ASSERT(numParts == 1, "With first pruning we expect 1 part");
62 /* Set rollingPruningNumParts to signal that it is not set */
63 plist->rollingPruningNumParts = 0;
64 plist->rollingPruningPart = 0;
68 if (plist->rollingPruningNumParts == 0)
70 plist->rollingPruningNumParts = numParts;
74 GMX_ASSERT(numParts == plist->rollingPruningNumParts,
75 "It is not allowed to change numParts in between list generation steps");
79 /* Use a local variable for part and update in plist, so we can return here
80 * without duplicating the part increment code.
82 const int part = plist->rollingPruningPart;
84 plist->rollingPruningPart++;
85 if (plist->rollingPruningPart >= plist->rollingPruningNumParts)
87 plist->rollingPruningPart = 0;
90 /* Compute the number of list entries to prune in this pass */
91 const int numSciInPart = (plist->nsci - part) / numParts;
93 /* Don't launch the kernel if there is no work to do */
94 if (numSciInPart <= 0)
96 plist->haveFreshList = false;
100 launchNbnxmKernelPruneOnly(nb, iloc, numParts, part, numSciInPart);
102 if (plist->haveFreshList)
104 plist->haveFreshList = false;
105 nb->didPrune[iloc] = true; // Mark that pruning has been done
109 nb->didRollingPrune[iloc] = true; // Mark that rolling pruning has been done
113 void gpu_launch_kernel(NbnxmGpu* nb, const gmx::StepWorkload& stepWork, const Nbnxm::InteractionLocality iloc)
115 const NBParamGpu* nbp = nb->nbparam;
116 gpu_plist* plist = nb->plist[iloc];
118 if (canSkipNonbondedWork(*nb, iloc))
120 plist->haveFreshList = false;
124 if (nbp->useDynamicPruning && plist->haveFreshList)
126 // Prunes for rlistOuter and rlistInner, sets plist->haveFreshList=false
127 gpu_launch_kernel_pruneonly(nb, iloc, 1);
130 if (plist->nsci == 0)
132 /* Don't launch an empty local kernel */
136 launchNbnxmKernel(nb, stepWork, iloc);