Gromacs
2018.8
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#include <gromacs/listed-forces/listed-internal.h>
struct contain all data for bonded force threading
Public Attributes | |
int | nthreads |
Number of threads to be used for bondeds. | |
f_thread_t * | f_t |
Force/enegry data per thread, size nthreads. | |
int | nblock_used |
The number of force blocks to reduce. | |
int * | block_index |
Index of size nblock_used into mask. | |
gmx_bitmask_t * | mask |
Mask array, one element corresponds to a block of reduction_block_size atoms of the force array, bit corresponding to thread indices set if a thread writes to that block. | |
int | block_nalloc |
Allocation size of block_index and mask. | |
bool | haveBondeds |
true if we have and thus need to reduce bonded forces | |
int | bonded_max_nthread_uniform |
Maximum thread count for uniform distribution of bondeds over threads. | |