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2018.8
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Gromacs
2018.8
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#include <gromacs/mdlib/nbnxn_ocl/nbnxn_ocl_types.h>
Collaboration diagram for gmx_nbnxn_ocl_t:Main data structure for OpenCL nonbonded force calculations.
Public Attributes | |
| const gmx_device_info_t * | dev_info |
| OpenCL device information. | |
| struct gmx_device_runtime_data_t * | dev_rundata |
| OpenCL runtime data (context, kernels) More... | |
| cl_kernel | kernel_pruneonly [ePruneNR] |
| prune kernels, ePruneKind defined the kernel kinds | |
| bool | bPrefetchLjParam |
| true if prefetching fg i-atom LJ parameters should be used in the kernels More... | |
| cl_bool | bUseTwoStreams |
| true if doing both local/non-local NB work on GPU | |
| cl_bool | bNonLocalStreamActive |
| true indicates that the nonlocal_done event was enqueued | |
| cl_atomdata_t * | atdat |
| atom data | |
| cl_nbparam_t * | nbparam |
| parameters required for the non-bonded calc. More... | |
| cl_plist_t * | plist [2] |
| pair-list data structures (local and non-local) | |
| cl_nb_staging_t | nbst |
| staging area where fshift/energies get downloaded | |
| cl_mem | debug_buffer |
| debug buffer | |
| cl_command_queue | stream [2] |
| local and non-local GPU queues | |
| cl_event | nonlocal_done |
| events used for synchronization More... | |
| cl_event | misc_ops_and_local_H2D_done |
| event triggered when the tasks issued in the local stream that need to precede the non-local force calculations are done (e.g. More... | |
| cl_bool | bDoTime |
| True if event-based timing is enabled. More... | |
| cl_timers_t * | timers |
| OpenCL event-based timers. More... | |
| struct gmx_wallclock_gpu_nbnxn_t * | timings |
| Timing data. More... | |
| cl_kernel | kernel_noener_noprune_ptr [eelOclNR][evdwOclNR] |
| cl_kernel | kernel_ener_noprune_ptr [eelOclNR][evdwOclNR] |
| cl_kernel | kernel_noener_prune_ptr [eelOclNR][evdwOclNR] |
| cl_kernel | kernel_ener_prune_ptr [eelOclNR][evdwOclNR] |
| cl_kernel | kernel_memset_f |
| cl_kernel | kernel_memset_f2 |
| cl_kernel | kernel_memset_f3 |
| cl_kernel | kernel_zero_e_fshift |
| cl_bool gmx_nbnxn_ocl_t::bDoTime |
True if event-based timing is enabled.
| bool gmx_nbnxn_ocl_t::bPrefetchLjParam |
true if prefetching fg i-atom LJ parameters should be used in the kernels
auxiliary kernels implementing memset-like functions
| struct gmx_device_runtime_data_t* gmx_nbnxn_ocl_t::dev_rundata |
OpenCL runtime data (context, kernels)
Pointers to non-bonded kernel functions organized similar with nb_kfunc_xxx arrays in nbnxn_ocl.cpp
| cl_event gmx_nbnxn_ocl_t::misc_ops_and_local_H2D_done |
event triggered when the tasks issued in the local stream that need to precede the non-local force calculations are done (e.g.
f buffer 0-ing, local x/q H2D)
| cl_nbparam_t* gmx_nbnxn_ocl_t::nbparam |
parameters required for the non-bonded calc.
| cl_event gmx_nbnxn_ocl_t::nonlocal_done |
events used for synchronization
event triggered when the non-local non-bonded kernel is done (and the local transfer can proceed)
| cl_timers_t* gmx_nbnxn_ocl_t::timers |
OpenCL event-based timers.
| struct gmx_wallclock_gpu_nbnxn_t* gmx_nbnxn_ocl_t::timings |
Timing data.
TODO: deprecate this and query timers for accumulated data instead
1.8.5