Gromacs  2021.3
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
List of all members | Public Attributes
Nbnxm::gpu_plist Struct Reference

#include <gromacs/nbnxm/gpu_types_common.h>


GPU pair list structure.

Public Attributes

int na_c
 number of atoms per cluster
int nsci
 size of sci, # of i clusters in the list
int sci_nalloc
 allocation size of sci
DeviceBuffer< nbnxn_sci_tsci
 list of i-cluster ("super-clusters")
int ncj4
 total # of 4*j clusters
int cj4_nalloc
 allocation size of cj4
DeviceBuffer< nbnxn_cj4_tcj4
 4*j cluster list, contains j cluster number and index into the i cluster list
int nimask

of 4*j clusters * # of warps

int imask_nalloc
 allocation size of imask
DeviceBuffer< unsigned int > imask
 imask for 2 warps for each 4*j cluster group
DeviceBuffer< nbnxn_excl_texcl
 atom interaction bits
int nexcl
 count for excl
int excl_nalloc
 allocation size of excl
bool haveFreshList
 true after search, indicates that initial pruning with outer pruning is needed
int rollingPruningNumParts
 the number of parts/steps over which one cycle of rolling pruning takes places
int rollingPruningPart
 the next part to which the rolling pruning needs to be applied

The documentation for this struct was generated from the following file: