version 1.99 | version 1.100 |
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| |
} | } |
}; | }; |
| |
| 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 |