version 1.1471 | version 1.1472 |
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/***************************************************************************** | /***************************************************************************** |
* $Source: /home/cvs/namd/cvsroot/namd2/src/SimParameters.C,v $ | * $Source: /home/cvs/namd/cvsroot/namd2/src/SimParameters.C,v $ |
* $Author: jim $ | * $Author: jim $ |
* $Date: 2016/10/27 20:26:29 $ | * $Date: 2016/10/27 22:05:36 $ |
* $Revision: 1.1471 $ | * $Revision: 1.1472 $ |
*****************************************************************************/ | *****************************************************************************/ |
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/** \file SimParameters.C | /** \file SimParameters.C |
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usePMECUDA = 0; | usePMECUDA = 0; |
iout << iWARN << "Disabling usePMECUDA because multiple CUDA devices per process requires useCUDA2.\n" << endi; | iout << iWARN << "Disabling usePMECUDA because multiple CUDA devices per process requires useCUDA2.\n" << endi; |
} | } |
| if ( cellBasisVector1.y != 0 || |
| cellBasisVector1.z != 0 || |
| cellBasisVector2.x != 0 || |
| cellBasisVector2.z != 0 || |
| cellBasisVector3.x != 0 || |
| cellBasisVector3.y != 0 ) { |
| if ( useCUDA2 ) { |
| useCUDA2 = 0; |
| iout << iWARN << "Disabling useCUDA2 because of non-orthorhombic periodic cell.\n" << endi; |
| } |
| if ( usePMECUDA ) { |
| usePMECUDA = 0; |
| iout << iWARN << "Disabling usePMECUDA because of non-orthorhombic periodic cell.\n" << endi; |
| } |
| } |
#else | #else |
PMEOffload = 0; | PMEOffload = 0; |
#endif | #endif |