| version 1.1026 | version 1.1027 |
|---|
| |
| CompAtomExtList pExt; | CompAtomExtList pExt; |
| #endif | #endif |
| | |
| //Those fields are declared for reusing position info | #ifdef REMOVE_PROXYDATAMSG_EXTRACOPY |
| | //1. Those fields are declared for reusing position info |
| //inside the ProxyDataMsg msg at every step so that the | //inside the ProxyDataMsg msg at every step so that the |
| //extra copy is avoided. | //extra copy is avoided. |
| //Regarding the CompAtomExt list inside the msg of ProxyAllMsg type | //Regarding the CompAtomExt list inside the msg of ProxyAllMsg type |
| //we cannot avoid the copy in the current scheme because this information | //we cannot avoid the copy in the current scheme because this information |
| //will be lost as the msg will be deleted at the next timestep. But the | //will be lost as the msg will be deleted at the next timestep. But the |
| //overhead is amortized among the steps that atoms don't migrate | //overhead is amortized among the steps that atoms don't migrate |
| | //2. positionPtrBegin is better to be made 32-byte aligned so we could |
| | // have better cache performance in the force calculation part. This |
| | // is especially needed for BG/L machine. |
| //--Chao Mei | //--Chao Mei |
| CompAtom *positionPtrBegin; | CompAtom *positionPtrBegin; |
| CompAtom *avgPositionPtrBegin; | |
| CompAtom *positionPtrEnd; | CompAtom *positionPtrEnd; |
| | #endif |
| | CompAtom *avgPositionPtrBegin; |
| CompAtom *avgPositionPtrEnd; | CompAtom *avgPositionPtrEnd; |
| | |
| ForceList f[Results::maxNumForces]; | ForceList f[Results::maxNumForces]; |