version 1.1321 | version 1.1322 |
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/***************************************************************************** | /***************************************************************************** |
* $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 $ |
*****************************************************************************/ | *****************************************************************************/ |
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#include "InfoStream.h" | #include "InfoStream.h" |
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} | } |
} | } |
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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 << ")"; |
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} | } |
} | } |
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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 << ")"; |