| version 1.99 | version 1.100 |
|---|
| |
| } | } |
| }; | }; |
| | |
| | void build_cuda_exclusions() { |
| | if ( deviceCUDA->getMasterPe() != CkMyPe() ) return; |
| | ComputeNonbondedCUDA::build_exclusions(); |
| | } |
| | |
| static __thread int2 *exclusionsByAtom; | static __thread int2 *exclusionsByAtom; |
| | |
| void ComputeNonbondedCUDA::build_exclusions() { | void ComputeNonbondedCUDA::build_exclusions() { |
| |
| int natoms = mol->numAtoms; | int natoms = mol->numAtoms; |
| #endif | #endif |
| | |
| | delete [] exclusionsByAtom; |
| exclusionsByAtom = new int2[natoms]; | exclusionsByAtom = new int2[natoms]; |
| | |
| // create unique sorted lists | // create unique sorted lists |