| version 1.1471 | version 1.1472 |
|---|
| |
| /***************************************************************************** | /***************************************************************************** |
| * $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 $ |
| *****************************************************************************/ | *****************************************************************************/ |
| | |
| /** \file SimParameters.C | /** \file SimParameters.C |
| |
| 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 |