"Watch out, the input system is too large to simulate!\n"
"The number of nonbonded work units (=number of super-clusters) exceeds the"
"device capabilities. Global work size limit exceeded (%zu > %zu)!",
- global_work_size[i], device_limit);
+ global_work_size[i],
+ device_limit);
}
}
}
/*! \brief Force-only kernel function names. */
static const char* nb_kfunc_noener_noprune_ptr[c_numElecTypes][c_numVdwTypes] = {
- { "nbnxn_kernel_ElecCut_VdwLJ_F_opencl", "nbnxn_kernel_ElecCut_VdwLJCombGeom_F_opencl",
- "nbnxn_kernel_ElecCut_VdwLJCombLB_F_opencl", "nbnxn_kernel_ElecCut_VdwLJFsw_F_opencl",
- "nbnxn_kernel_ElecCut_VdwLJPsw_F_opencl", "nbnxn_kernel_ElecCut_VdwLJEwCombGeom_F_opencl",
+ { "nbnxn_kernel_ElecCut_VdwLJ_F_opencl",
+ "nbnxn_kernel_ElecCut_VdwLJCombGeom_F_opencl",
+ "nbnxn_kernel_ElecCut_VdwLJCombLB_F_opencl",
+ "nbnxn_kernel_ElecCut_VdwLJFsw_F_opencl",
+ "nbnxn_kernel_ElecCut_VdwLJPsw_F_opencl",
+ "nbnxn_kernel_ElecCut_VdwLJEwCombGeom_F_opencl",
"nbnxn_kernel_ElecCut_VdwLJEwCombLB_F_opencl" },
- { "nbnxn_kernel_ElecRF_VdwLJ_F_opencl", "nbnxn_kernel_ElecRF_VdwLJCombGeom_F_opencl",
- "nbnxn_kernel_ElecRF_VdwLJCombLB_F_opencl", "nbnxn_kernel_ElecRF_VdwLJFsw_F_opencl",
- "nbnxn_kernel_ElecRF_VdwLJPsw_F_opencl", "nbnxn_kernel_ElecRF_VdwLJEwCombGeom_F_opencl",
+ { "nbnxn_kernel_ElecRF_VdwLJ_F_opencl",
+ "nbnxn_kernel_ElecRF_VdwLJCombGeom_F_opencl",
+ "nbnxn_kernel_ElecRF_VdwLJCombLB_F_opencl",
+ "nbnxn_kernel_ElecRF_VdwLJFsw_F_opencl",
+ "nbnxn_kernel_ElecRF_VdwLJPsw_F_opencl",
+ "nbnxn_kernel_ElecRF_VdwLJEwCombGeom_F_opencl",
"nbnxn_kernel_ElecRF_VdwLJEwCombLB_F_opencl" },
- { "nbnxn_kernel_ElecEwQSTab_VdwLJ_F_opencl", "nbnxn_kernel_ElecEwQSTab_VdwLJCombGeom_F_opencl",
- "nbnxn_kernel_ElecEwQSTab_VdwLJCombLB_F_opencl", "nbnxn_kernel_ElecEwQSTab_VdwLJFsw_F_opencl",
+ { "nbnxn_kernel_ElecEwQSTab_VdwLJ_F_opencl",
+ "nbnxn_kernel_ElecEwQSTab_VdwLJCombGeom_F_opencl",
+ "nbnxn_kernel_ElecEwQSTab_VdwLJCombLB_F_opencl",
+ "nbnxn_kernel_ElecEwQSTab_VdwLJFsw_F_opencl",
"nbnxn_kernel_ElecEwQSTab_VdwLJPsw_F_opencl",
"nbnxn_kernel_ElecEwQSTab_VdwLJEwCombGeom_F_opencl",
"nbnxn_kernel_ElecEwQSTab_VdwLJEwCombLB_F_opencl" },
"nbnxn_kernel_ElecEwQSTabTwinCut_VdwLJPsw_F_opencl",
"nbnxn_kernel_ElecEwQSTabTwinCut_VdwLJEwCombGeom_F_opencl",
"nbnxn_kernel_ElecEwQSTabTwinCut_VdwLJEwCombLB_F_opencl" },
- { "nbnxn_kernel_ElecEw_VdwLJ_F_opencl", "nbnxn_kernel_ElecEw_VdwLJCombGeom_F_opencl",
- "nbnxn_kernel_ElecEw_VdwLJCombLB_F_opencl", "nbnxn_kernel_ElecEw_VdwLJFsw_F_opencl",
- "nbnxn_kernel_ElecEw_VdwLJPsw_F_opencl", "nbnxn_kernel_ElecEw_VdwLJEwCombGeom_F_opencl",
+ { "nbnxn_kernel_ElecEw_VdwLJ_F_opencl",
+ "nbnxn_kernel_ElecEw_VdwLJCombGeom_F_opencl",
+ "nbnxn_kernel_ElecEw_VdwLJCombLB_F_opencl",
+ "nbnxn_kernel_ElecEw_VdwLJFsw_F_opencl",
+ "nbnxn_kernel_ElecEw_VdwLJPsw_F_opencl",
+ "nbnxn_kernel_ElecEw_VdwLJEwCombGeom_F_opencl",
"nbnxn_kernel_ElecEw_VdwLJEwCombLB_F_opencl" },
{ "nbnxn_kernel_ElecEwTwinCut_VdwLJ_F_opencl",
"nbnxn_kernel_ElecEwTwinCut_VdwLJCombGeom_F_opencl",
"nbnxn_kernel_ElecEwTwinCut_VdwLJCombLB_F_opencl",
- "nbnxn_kernel_ElecEwTwinCut_VdwLJFsw_F_opencl", "nbnxn_kernel_ElecEwTwinCut_VdwLJPsw_F_opencl",
+ "nbnxn_kernel_ElecEwTwinCut_VdwLJFsw_F_opencl",
+ "nbnxn_kernel_ElecEwTwinCut_VdwLJPsw_F_opencl",
"nbnxn_kernel_ElecEwTwinCut_VdwLJEwCombGeom_F_opencl",
"nbnxn_kernel_ElecEwTwinCut_VdwLJEwCombLB_F_opencl" }
};
/*! \brief Force + energy kernel function pointers. */
static const char* nb_kfunc_ener_noprune_ptr[c_numElecTypes][c_numVdwTypes] = {
- { "nbnxn_kernel_ElecCut_VdwLJ_VF_opencl", "nbnxn_kernel_ElecCut_VdwLJCombGeom_VF_opencl",
- "nbnxn_kernel_ElecCut_VdwLJCombLB_VF_opencl", "nbnxn_kernel_ElecCut_VdwLJFsw_VF_opencl",
- "nbnxn_kernel_ElecCut_VdwLJPsw_VF_opencl", "nbnxn_kernel_ElecCut_VdwLJEwCombGeom_VF_opencl",
+ { "nbnxn_kernel_ElecCut_VdwLJ_VF_opencl",
+ "nbnxn_kernel_ElecCut_VdwLJCombGeom_VF_opencl",
+ "nbnxn_kernel_ElecCut_VdwLJCombLB_VF_opencl",
+ "nbnxn_kernel_ElecCut_VdwLJFsw_VF_opencl",
+ "nbnxn_kernel_ElecCut_VdwLJPsw_VF_opencl",
+ "nbnxn_kernel_ElecCut_VdwLJEwCombGeom_VF_opencl",
"nbnxn_kernel_ElecCut_VdwLJEwCombLB_VF_opencl" },
- { "nbnxn_kernel_ElecRF_VdwLJ_VF_opencl", "nbnxn_kernel_ElecRF_VdwLJCombGeom_VF_opencl",
- "nbnxn_kernel_ElecRF_VdwLJCombLB_VF_opencl", "nbnxn_kernel_ElecRF_VdwLJFsw_VF_opencl",
- "nbnxn_kernel_ElecRF_VdwLJPsw_VF_opencl", "nbnxn_kernel_ElecRF_VdwLJEwCombGeom_VF_opencl",
+ { "nbnxn_kernel_ElecRF_VdwLJ_VF_opencl",
+ "nbnxn_kernel_ElecRF_VdwLJCombGeom_VF_opencl",
+ "nbnxn_kernel_ElecRF_VdwLJCombLB_VF_opencl",
+ "nbnxn_kernel_ElecRF_VdwLJFsw_VF_opencl",
+ "nbnxn_kernel_ElecRF_VdwLJPsw_VF_opencl",
+ "nbnxn_kernel_ElecRF_VdwLJEwCombGeom_VF_opencl",
"nbnxn_kernel_ElecRF_VdwLJEwCombLB_VF_opencl" },
- { "nbnxn_kernel_ElecEwQSTab_VdwLJ_VF_opencl", "nbnxn_kernel_ElecEwQSTab_VdwLJCombGeom_VF_opencl",
+ { "nbnxn_kernel_ElecEwQSTab_VdwLJ_VF_opencl",
+ "nbnxn_kernel_ElecEwQSTab_VdwLJCombGeom_VF_opencl",
"nbnxn_kernel_ElecEwQSTab_VdwLJCombLB_VF_opencl",
- "nbnxn_kernel_ElecEwQSTab_VdwLJFsw_VF_opencl", "nbnxn_kernel_ElecEwQSTab_VdwLJPsw_VF_opencl",
+ "nbnxn_kernel_ElecEwQSTab_VdwLJFsw_VF_opencl",
+ "nbnxn_kernel_ElecEwQSTab_VdwLJPsw_VF_opencl",
"nbnxn_kernel_ElecEwQSTab_VdwLJEwCombGeom_VF_opencl",
"nbnxn_kernel_ElecEwQSTab_VdwLJEwCombLB_VF_opencl" },
{ "nbnxn_kernel_ElecEwQSTabTwinCut_VdwLJ_VF_opencl",
"nbnxn_kernel_ElecEwQSTabTwinCut_VdwLJPsw_VF_opencl",
"nbnxn_kernel_ElecEwQSTabTwinCut_VdwLJEwCombGeom_VF_opencl",
"nbnxn_kernel_ElecEwQSTabTwinCut_VdwLJEwCombLB_VF_opencl" },
- { "nbnxn_kernel_ElecEw_VdwLJ_VF_opencl", "nbnxn_kernel_ElecEw_VdwLJCombGeom_VF_opencl",
- "nbnxn_kernel_ElecEw_VdwLJCombLB_VF_opencl", "nbnxn_kernel_ElecEw_VdwLJFsw_VF_opencl",
- "nbnxn_kernel_ElecEw_VdwLJPsw_VF_opencl", "nbnxn_kernel_ElecEw_VdwLJEwCombGeom_VF_opencl",
+ { "nbnxn_kernel_ElecEw_VdwLJ_VF_opencl",
+ "nbnxn_kernel_ElecEw_VdwLJCombGeom_VF_opencl",
+ "nbnxn_kernel_ElecEw_VdwLJCombLB_VF_opencl",
+ "nbnxn_kernel_ElecEw_VdwLJFsw_VF_opencl",
+ "nbnxn_kernel_ElecEw_VdwLJPsw_VF_opencl",
+ "nbnxn_kernel_ElecEw_VdwLJEwCombGeom_VF_opencl",
"nbnxn_kernel_ElecEw_VdwLJEwCombLB_VF_opencl" },
{ "nbnxn_kernel_ElecEwTwinCut_VdwLJ_VF_opencl",
"nbnxn_kernel_ElecEwTwinCut_VdwLJCombGeom_VF_opencl",
{ "nbnxn_kernel_ElecCut_VdwLJ_F_prune_opencl",
"nbnxn_kernel_ElecCut_VdwLJCombGeom_F_prune_opencl",
"nbnxn_kernel_ElecCut_VdwLJCombLB_F_prune_opencl",
- "nbnxn_kernel_ElecCut_VdwLJFsw_F_prune_opencl", "nbnxn_kernel_ElecCut_VdwLJPsw_F_prune_opencl",
+ "nbnxn_kernel_ElecCut_VdwLJFsw_F_prune_opencl",
+ "nbnxn_kernel_ElecCut_VdwLJPsw_F_prune_opencl",
"nbnxn_kernel_ElecCut_VdwLJEwCombGeom_F_prune_opencl",
"nbnxn_kernel_ElecCut_VdwLJEwCombLB_F_prune_opencl" },
- { "nbnxn_kernel_ElecRF_VdwLJ_F_prune_opencl", "nbnxn_kernel_ElecRF_VdwLJCombGeom_F_prune_opencl",
+ { "nbnxn_kernel_ElecRF_VdwLJ_F_prune_opencl",
+ "nbnxn_kernel_ElecRF_VdwLJCombGeom_F_prune_opencl",
"nbnxn_kernel_ElecRF_VdwLJCombLB_F_prune_opencl",
- "nbnxn_kernel_ElecRF_VdwLJFsw_F_prune_opencl", "nbnxn_kernel_ElecRF_VdwLJPsw_F_prune_opencl",
+ "nbnxn_kernel_ElecRF_VdwLJFsw_F_prune_opencl",
+ "nbnxn_kernel_ElecRF_VdwLJPsw_F_prune_opencl",
"nbnxn_kernel_ElecRF_VdwLJEwCombGeom_F_prune_opencl",
"nbnxn_kernel_ElecRF_VdwLJEwCombLB_F_prune_opencl" },
{ "nbnxn_kernel_ElecEwQSTab_VdwLJ_F_prune_opencl",
"nbnxn_kernel_ElecEwQSTabTwinCut_VdwLJPsw_F_prune_opencl",
"nbnxn_kernel_ElecEwQSTabTwinCut_VdwLJEwCombGeom_F_prune_opencl",
"nbnxn_kernel_ElecEwQSTabTwinCut_VdwLJEwCombLB_F_prune_opencl" },
- { "nbnxn_kernel_ElecEw_VdwLJ_F_prune_opencl", "nbnxn_kernel_ElecEw_VdwLJCombGeom_F_prune_opencl",
+ { "nbnxn_kernel_ElecEw_VdwLJ_F_prune_opencl",
+ "nbnxn_kernel_ElecEw_VdwLJCombGeom_F_prune_opencl",
"nbnxn_kernel_ElecEw_VdwLJCombLB_F_prune_opencl",
- "nbnxn_kernel_ElecEw_VdwLJFsw_F_prune_opencl", "nbnxn_kernel_ElecEw_VdwLJPsw_F_prune_opencl",
+ "nbnxn_kernel_ElecEw_VdwLJFsw_F_prune_opencl",
+ "nbnxn_kernel_ElecEw_VdwLJPsw_F_prune_opencl",
"nbnxn_kernel_ElecEw_VdwLJEwCombGeom_F_prune_opencl",
"nbnxn_kernel_ElecEw_VdwLJEwCombLB_F_prune_opencl" },
{ "nbnxn_kernel_ElecEwTwinCut_VdwLJ_F_prune_opencl",
{ "nbnxn_kernel_ElecRF_VdwLJ_VF_prune_opencl",
"nbnxn_kernel_ElecRF_VdwLJCombGeom_VF_prune_opencl",
"nbnxn_kernel_ElecRF_VdwLJCombLB_VF_prune_opencl",
- "nbnxn_kernel_ElecRF_VdwLJFsw_VF_prune_opencl", "nbnxn_kernel_ElecRF_VdwLJPsw_VF_prune_opencl",
+ "nbnxn_kernel_ElecRF_VdwLJFsw_VF_prune_opencl",
+ "nbnxn_kernel_ElecRF_VdwLJPsw_VF_prune_opencl",
"nbnxn_kernel_ElecRF_VdwLJEwCombGeom_VF_prune_opencl",
"nbnxn_kernel_ElecRF_VdwLJEwCombLB_VF_prune_opencl" },
{ "nbnxn_kernel_ElecEwQSTab_VdwLJ_VF_prune_opencl",
{ "nbnxn_kernel_ElecEw_VdwLJ_VF_prune_opencl",
"nbnxn_kernel_ElecEw_VdwLJCombGeom_VF_prune_opencl",
"nbnxn_kernel_ElecEw_VdwLJCombLB_VF_prune_opencl",
- "nbnxn_kernel_ElecEw_VdwLJFsw_VF_prune_opencl", "nbnxn_kernel_ElecEw_VdwLJPsw_VF_prune_opencl",
+ "nbnxn_kernel_ElecEw_VdwLJFsw_VF_prune_opencl",
+ "nbnxn_kernel_ElecEw_VdwLJPsw_VF_prune_opencl",
"nbnxn_kernel_ElecEw_VdwLJEwCombGeom_VF_prune_opencl",
"nbnxn_kernel_ElecEw_VdwLJEwCombLB_VF_prune_opencl" },
{ "nbnxn_kernel_ElecEwTwinCut_VdwLJ_VF_prune_opencl",
if (nullptr == kernel_ptr[0])
{
*kernel_ptr = clCreateKernel(nb->dev_rundata->program, kernel_name_to_run, &cl_error);
- GMX_ASSERT(cl_error == CL_SUCCESS, ("clCreateKernel failed: " + ocl_get_error_string(cl_error)
- + " for kernel named " + kernel_name_to_run)
- .c_str());
+ GMX_ASSERT(cl_error == CL_SUCCESS,
+ ("clCreateKernel failed: " + ocl_get_error_string(cl_error)
+ + " for kernel named " + kernel_name_to_run)
+ .c_str());
}
return *kernel_ptr;
/* HtoD x, q */
GMX_ASSERT(sizeof(float) == sizeof(*nbatom->x().data()),
"The size of the xyzq buffer element should be equal to the size of float4.");
- copyToDeviceBuffer(&adat->xq, nbatom->x().data() + adat_begin * 4, adat_begin * 4, adat_len * 4,
- deviceStream, GpuApiCallBehavior::Async,
+ copyToDeviceBuffer(&adat->xq,
+ nbatom->x().data() + adat_begin * 4,
+ adat_begin * 4,
+ adat_len * 4,
+ deviceStream,
+ GpuApiCallBehavior::Async,
bDoTime ? t->xf[atomLocality].nb_h2d.fetchNextEvent() : nullptr);
if (bDoTime)
fprintf(debug,
"Non-bonded GPU launch configuration:\n\tLocal work size: %zux%zux%zu\n\t"
"Global work size : %zux%zu\n\t#Super-clusters/clusters: %d/%d (%d)\n",
- config.blockSize[0], config.blockSize[1], config.blockSize[2],
- config.blockSize[0] * config.gridSize[0], config.blockSize[1] * config.gridSize[1],
+ config.blockSize[0],
+ config.blockSize[1],
+ config.blockSize[2],
+ config.blockSize[0] * config.gridSize[0],
+ config.blockSize[1] * config.gridSize[1],
plist->nsci * c_nbnxnGpuNumClusterPerSupercluster,
- c_nbnxnGpuNumClusterPerSupercluster, plist->na_c);
+ c_nbnxnGpuNumClusterPerSupercluster,
+ plist->na_c);
}
fillin_ocl_structures(nbp, &nbparams_params);
auto* timingEvent = bDoTime ? t->interaction[iloc].nb_k.fetchNextEvent() : nullptr;
constexpr char kernelName[] = "k_calc_nb";
const auto kernel =
- select_nbnxn_kernel(nb, nbp->elecType, nbp->vdwType, stepWork.computeEnergy,
+ select_nbnxn_kernel(nb,
+ nbp->elecType,
+ nbp->vdwType,
+ stepWork.computeEnergy,
(plist->haveFreshList && !nb->timers->interaction[iloc].didPrune));
const int computeFshift = static_cast<int>(stepWork.computeVirial);
if (useLjCombRule(nb->nbparam->vdwType))
{
- const auto kernelArgs = prepareGpuKernelArguments(
- kernel, config, &nbparams_params, &adat->xq, &adat->f, &adat->e_lj, &adat->e_el,
- &adat->fshift, &adat->lj_comb, &adat->shift_vec, &nbp->nbfp, &nbp->nbfp_comb,
- &nbp->coulomb_tab, &plist->sci, &plist->cj4, &plist->excl, &computeFshift);
+ const auto kernelArgs = prepareGpuKernelArguments(kernel,
+ config,
+ &nbparams_params,
+ &adat->xq,
+ &adat->f,
+ &adat->e_lj,
+ &adat->e_el,
+ &adat->fshift,
+ &adat->lj_comb,
+ &adat->shift_vec,
+ &nbp->nbfp,
+ &nbp->nbfp_comb,
+ &nbp->coulomb_tab,
+ &plist->sci,
+ &plist->cj4,
+ &plist->excl,
+ &computeFshift);
launchGpuKernel(kernel, config, deviceStream, timingEvent, kernelName, kernelArgs);
}
else
{
- const auto kernelArgs = prepareGpuKernelArguments(
- kernel, config, &adat->ntypes, &nbparams_params, &adat->xq, &adat->f, &adat->e_lj,
- &adat->e_el, &adat->fshift, &adat->atom_types, &adat->shift_vec, &nbp->nbfp, &nbp->nbfp_comb,
- &nbp->coulomb_tab, &plist->sci, &plist->cj4, &plist->excl, &computeFshift);
+ const auto kernelArgs = prepareGpuKernelArguments(kernel,
+ config,
+ &adat->ntypes,
+ &nbparams_params,
+ &adat->xq,
+ &adat->f,
+ &adat->e_lj,
+ &adat->e_el,
+ &adat->fshift,
+ &adat->atom_types,
+ &adat->shift_vec,
+ &nbp->nbfp,
+ &nbp->nbfp_comb,
+ &nbp->coulomb_tab,
+ &plist->sci,
+ &plist->cj4,
+ &plist->excl,
+ &computeFshift);
launchGpuKernel(kernel, config, deviceStream, timingEvent, kernelName, kernelArgs);
}
"Pruning GPU kernel launch configuration:\n\tLocal work size: %zux%zux%zu\n\t"
"\tGlobal work size: %zux%zu\n\t#Super-clusters/clusters: %d/%d (%d)\n"
"\tShMem: %zu\n",
- config.blockSize[0], config.blockSize[1], config.blockSize[2],
- config.blockSize[0] * config.gridSize[0], config.blockSize[1] * config.gridSize[1],
+ config.blockSize[0],
+ config.blockSize[1],
+ config.blockSize[2],
+ config.blockSize[0] * config.gridSize[0],
+ config.blockSize[1] * config.gridSize[1],
plist->nsci * c_nbnxnGpuNumClusterPerSupercluster,
- c_nbnxnGpuNumClusterPerSupercluster, plist->na_c, config.sharedMemorySize);
+ c_nbnxnGpuNumClusterPerSupercluster,
+ plist->na_c,
+ config.sharedMemorySize);
}
cl_nbparam_params_t nbparams_params;
auto* timingEvent = bDoTime ? timer->fetchNextEvent() : nullptr;
constexpr char kernelName[] = "k_pruneonly";
const auto pruneKernel = selectPruneKernel(nb->kernel_pruneonly, plist->haveFreshList);
- const auto kernelArgs = prepareGpuKernelArguments(pruneKernel, config, &nbparams_params,
- &adat->xq, &adat->shift_vec, &plist->sci,
- &plist->cj4, &plist->imask, &numParts, &part);
+ const auto kernelArgs = prepareGpuKernelArguments(pruneKernel,
+ config,
+ &nbparams_params,
+ &adat->xq,
+ &adat->shift_vec,
+ &plist->sci,
+ &plist->cj4,
+ &plist->imask,
+ &numParts,
+ &part);
launchGpuKernel(pruneKernel, config, deviceStream, timingEvent, kernelName, kernelArgs);
if (plist->haveFreshList)
/* DtoH f */
GMX_ASSERT(sizeof(*nbatom->out[0].f.data()) == sizeof(float),
"The host force buffer should be in single precision to match device data size.");
- copyFromDeviceBuffer(&nbatom->out[0].f[adat_begin * DIM], &adat->f, adat_begin * DIM,
- adat_len * DIM, deviceStream, GpuApiCallBehavior::Async,
+ copyFromDeviceBuffer(&nbatom->out[0].f[adat_begin * DIM],
+ &adat->f,
+ adat_begin * DIM,
+ adat_len * DIM,
+ deviceStream,
+ GpuApiCallBehavior::Async,
bDoTime ? t->xf[aloc].nb_d2h.fetchNextEvent() : nullptr);
/* kick off work */
{
GMX_ASSERT(sizeof(*nb->nbst.fshift) == DIM * sizeof(float),
"Sizes of host- and device-side shift vector elements should be the same.");
- copyFromDeviceBuffer(reinterpret_cast<float*>(nb->nbst.fshift), &adat->fshift, 0,
- SHIFTS * DIM, deviceStream, GpuApiCallBehavior::Async,
+ copyFromDeviceBuffer(reinterpret_cast<float*>(nb->nbst.fshift),
+ &adat->fshift,
+ 0,
+ SHIFTS * DIM,
+ deviceStream,
+ GpuApiCallBehavior::Async,
bDoTime ? t->xf[aloc].nb_d2h.fetchNextEvent() : nullptr);
}
{
GMX_ASSERT(sizeof(*nb->nbst.e_lj) == sizeof(float),
"Sizes of host- and device-side LJ energy terms should be the same.");
- copyFromDeviceBuffer(nb->nbst.e_lj, &adat->e_lj, 0, 1, deviceStream, GpuApiCallBehavior::Async,
+ copyFromDeviceBuffer(nb->nbst.e_lj,
+ &adat->e_lj,
+ 0,
+ 1,
+ deviceStream,
+ GpuApiCallBehavior::Async,
bDoTime ? t->xf[aloc].nb_d2h.fetchNextEvent() : nullptr);
GMX_ASSERT(sizeof(*nb->nbst.e_el) == sizeof(float),
"Sizes of host- and device-side electrostatic energy terms should be the "
"same.");
- copyFromDeviceBuffer(nb->nbst.e_el, &adat->e_el, 0, 1, deviceStream, GpuApiCallBehavior::Async,
+ copyFromDeviceBuffer(nb->nbst.e_el,
+ &adat->e_el,
+ 0,
+ 1,
+ deviceStream,
+ GpuApiCallBehavior::Async,
bDoTime ? t->xf[aloc].nb_d2h.fetchNextEvent() : nullptr);
}
}
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff