| version 1.1321 | version 1.1322 |
|---|
| |
| /***************************************************************************** | /***************************************************************************** |
| * $Source: /home/cvs/namd/cvsroot/namd2/src/Controller.C,v $ | * $Source: /home/cvs/namd/cvsroot/namd2/src/Controller.C,v $ |
| * $Author: jim $ | * $Author: jim $ |
| * $Date: 2016/09/14 20:22:03 $ | * $Date: 2016/09/29 20:31:47 $ |
| * $Revision: 1.1321 $ | * $Revision: 1.1322 $ |
| *****************************************************************************/ | *****************************************************************************/ |
| | |
| #include "InfoStream.h" | #include "InfoStream.h" |
| |
| } | } |
| } | } |
| | |
| if ( ((int)checksum) && ((int)checksum) < molecule->numCalcExclusions && ! simParams->goGroPair ) { | if ( ((int)checksum) && ((int)checksum) < molecule->numCalcExclusions && |
| | ! simParams->goGroPair && ! simParams->qmForcesOn) { |
| if ( forgiving || ! simParams->fullElectFrequency ) { | if ( forgiving || ! simParams->fullElectFrequency ) { |
| iout << iWARN << "Low global exclusion count! (" | iout << iWARN << "Low global exclusion count! (" |
| << ((int)checksum) << " vs " << molecule->numCalcExclusions << ")"; | << ((int)checksum) << " vs " << molecule->numCalcExclusions << ")"; |
| |
| } | } |
| } | } |
| | |
| if ( ((int)checksum) && ((int)checksum) < molecule->numCalcFullExclusions && ! simParams->goGroPair ) { | if ( ((int)checksum) && ((int)checksum) < molecule->numCalcFullExclusions && |
| | ! simParams->goGroPair && ! simParams->qmForcesOn) { |
| if ( forgiving || ! simParams->fullElectFrequency ) { | if ( forgiving || ! simParams->fullElectFrequency ) { |
| iout << iWARN << "Low global CUDA exclusion count! (" | iout << iWARN << "Low global CUDA exclusion count! (" |
| << ((int)checksum) << " vs " << molecule->numCalcFullExclusions << ")"; | << ((int)checksum) << " vs " << molecule->numCalcFullExclusions << ")"; |