version 1.127 | version 1.128 |
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/***************************************************************************** | /***************************************************************************** |
* $Source: /home/cvs/namd/cvsroot/namd2/src/LdbCoordinator.C,v $ | * $Source: /home/cvs/namd/cvsroot/namd2/src/LdbCoordinator.C,v $ |
* $Author: jim $ | * $Author: jim $ |
* $Date: 2016/03/02 21:33:06 $ | * $Date: 2017/03/30 20:06:17 $ |
* $Revision: 1.127 $ | * $Revision: 1.128 $ |
*****************************************************************************/ | *****************************************************************************/ |
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#include <stdlib.h> | #include <stdlib.h> |
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|| (computeMap->type(i) == computeNonbondedSelfType) | || (computeMap->type(i) == computeNonbondedSelfType) |
|| (computeMap->type(i) == computeNonbondedPairType) | || (computeMap->type(i) == computeNonbondedPairType) |
#endif | #endif |
|| (computeMap->type(i) == computeLCPOType) | #if defined(NAMD_CUDA) && defined(BONDED_CUDA) |
|| (computeMap->type(i) == computeSelfExclsType) | || (computeMap->type(i) == computeSelfBondsType && !(simParams->bondedCUDA & 1)) |
| || (computeMap->type(i) == computeBondsType && !(simParams->bondedCUDA & 1)) |
| || (computeMap->type(i) == computeSelfAnglesType && !(simParams->bondedCUDA & 2)) |
| || (computeMap->type(i) == computeAnglesType && !(simParams->bondedCUDA & 2)) |
| || (computeMap->type(i) == computeSelfDihedralsType && !(simParams->bondedCUDA & 4)) |
| || (computeMap->type(i) == computeDihedralsType && !(simParams->bondedCUDA & 4)) |
| || (computeMap->type(i) == computeSelfImpropersType && !(simParams->bondedCUDA & 8)) |
| || (computeMap->type(i) == computeImpropersType && !(simParams->bondedCUDA & 8)) |
| || (computeMap->type(i) == computeSelfExclsType && !(simParams->bondedCUDA & 16)) |
| || (computeMap->type(i) == computeExclsType && !(simParams->bondedCUDA & 16)) |
| || (computeMap->type(i) == computeSelfCrosstermsType && !(simParams->bondedCUDA & 32)) |
| || (computeMap->type(i) == computeCrosstermsType && !(simParams->bondedCUDA & 32)) |
| #else |
|| (computeMap->type(i) == computeSelfBondsType) | || (computeMap->type(i) == computeSelfBondsType) |
| || (computeMap->type(i) == computeBondsType) |
|| (computeMap->type(i) == computeSelfAnglesType) | || (computeMap->type(i) == computeSelfAnglesType) |
| || (computeMap->type(i) == computeAnglesType) |
|| (computeMap->type(i) == computeSelfDihedralsType) | || (computeMap->type(i) == computeSelfDihedralsType) |
| || (computeMap->type(i) == computeDihedralsType) |
|| (computeMap->type(i) == computeSelfImpropersType) | || (computeMap->type(i) == computeSelfImpropersType) |
| || (computeMap->type(i) == computeImpropersType) |
| || (computeMap->type(i) == computeSelfExclsType) |
| || (computeMap->type(i) == computeExclsType) |
| || (computeMap->type(i) == computeSelfCrosstermsType) |
| || (computeMap->type(i) == computeCrosstermsType) |
| #endif |
| || (computeMap->type(i) == computeLCPOType) |
|| (computeMap->type(i) == computeSelfTholeType) | || (computeMap->type(i) == computeSelfTholeType) |
|| (computeMap->type(i) == computeSelfAnisoType) | || (computeMap->type(i) == computeSelfAnisoType) |
|| (computeMap->type(i) == computeSelfCrosstermsType) | |
| |
|| (computeMap->type(i) == computeBondsType) | |
|| (computeMap->type(i) == computeExclsType) | |
|| (computeMap->type(i) == computeAnglesType) | |
|| (computeMap->type(i) == computeDihedralsType) | |
|| (computeMap->type(i) == computeImpropersType) | |
|| (computeMap->type(i) == computeTholeType) | || (computeMap->type(i) == computeTholeType) |
|| (computeMap->type(i) == computeAnisoType) | || (computeMap->type(i) == computeAnisoType) |
|| (computeMap->type(i) == computeCrosstermsType) | |
// JLai | // JLai |
|| (computeMap->type(i) == computeGromacsPairType) | || (computeMap->type(i) == computeGromacsPairType) |
|| (computeMap->type(i) == computeSelfGromacsPairType) | || (computeMap->type(i) == computeSelfGromacsPairType) |
| |
|| (computeMap->type(i) == computeNonbondedSelfType) | || (computeMap->type(i) == computeNonbondedSelfType) |
|| (computeMap->type(i) == computeNonbondedPairType) | || (computeMap->type(i) == computeNonbondedPairType) |
#endif | #endif |
|| (computeMap->type(i) == computeLCPOType) | #if defined(NAMD_CUDA) && defined(BONDED_CUDA) |
|| (computeMap->type(i) == computeSelfExclsType) | || (computeMap->type(i) == computeSelfBondsType && !(simParams->bondedCUDA & 1)) |
| || (computeMap->type(i) == computeSelfAnglesType && !(simParams->bondedCUDA & 2)) |
| || (computeMap->type(i) == computeSelfDihedralsType && !(simParams->bondedCUDA & 4)) |
| || (computeMap->type(i) == computeSelfImpropersType && !(simParams->bondedCUDA & 8)) |
| || (computeMap->type(i) == computeSelfExclsType && !(simParams->bondedCUDA & 16)) |
| || (computeMap->type(i) == computeSelfCrosstermsType && !(simParams->bondedCUDA & 32)) |
| #else |
|| (computeMap->type(i) == computeSelfBondsType) | || (computeMap->type(i) == computeSelfBondsType) |
|| (computeMap->type(i) == computeSelfAnglesType) | || (computeMap->type(i) == computeSelfAnglesType) |
|| (computeMap->type(i) == computeSelfDihedralsType) | || (computeMap->type(i) == computeSelfDihedralsType) |
|| (computeMap->type(i) == computeSelfImpropersType) | || (computeMap->type(i) == computeSelfImpropersType) |
| || (computeMap->type(i) == computeSelfExclsType) |
| || (computeMap->type(i) == computeSelfCrosstermsType) |
| #endif |
| || (computeMap->type(i) == computeLCPOType) |
|| (computeMap->type(i) == computeSelfTholeType) | || (computeMap->type(i) == computeSelfTholeType) |
|| (computeMap->type(i) == computeSelfAnisoType) | || (computeMap->type(i) == computeSelfAnisoType) |
|| (computeMap->type(i) == computeSelfCrosstermsType) | |
// JLai | // JLai |
|| (computeMap->type(i) == computeSelfGromacsPairType) | || (computeMap->type(i) == computeSelfGromacsPairType) |
// End of JLai | // End of JLai |
| |
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c->ldObjHandle = theLbdb->RegisterObj(myHandle,elemID,0,1); | c->ldObjHandle = theLbdb->RegisterObj(myHandle,elemID,0,1); |
} | } |
else if ( (computeMap->type(i) == computeBondsType) | else if ( |
|| (computeMap->type(i) == computeExclsType) | #if defined(NAMD_CUDA) && defined(BONDED_CUDA) |
| (computeMap->type(i) == computeBondsType && !(simParams->bondedCUDA & 1)) |
| || (computeMap->type(i) == computeAnglesType && !(simParams->bondedCUDA & 2)) |
| || (computeMap->type(i) == computeDihedralsType && !(simParams->bondedCUDA & 4)) |
| || (computeMap->type(i) == computeImpropersType && !(simParams->bondedCUDA & 8)) |
| || (computeMap->type(i) == computeExclsType && !(simParams->bondedCUDA & 16)) |
| || (computeMap->type(i) == computeCrosstermsType && !(simParams->bondedCUDA & 32)) |
| #else |
| (computeMap->type(i) == computeBondsType) |
|| (computeMap->type(i) == computeAnglesType) | || (computeMap->type(i) == computeAnglesType) |
|| (computeMap->type(i) == computeDihedralsType) | || (computeMap->type(i) == computeDihedralsType) |
|| (computeMap->type(i) == computeImpropersType) | || (computeMap->type(i) == computeImpropersType) |
| || (computeMap->type(i) == computeExclsType) |
| || (computeMap->type(i) == computeCrosstermsType) |
| #endif |
|| (computeMap->type(i) == computeTholeType) | || (computeMap->type(i) == computeTholeType) |
|| (computeMap->type(i) == computeAnisoType) | || (computeMap->type(i) == computeAnisoType) |
|| (computeMap->type(i) == computeCrosstermsType) | |
// JLai | // JLai |
|| (computeMap->type(i) == computeGromacsPairType) | || (computeMap->type(i) == computeGromacsPairType) |
// End of JLai | // End of JLai |