CudaConstantMemory.h
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上传日期:2022-04-05
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- /*
- FastGrid (formerly AutoGrid)
- Copyright (C) 2009 The Scripps Research Institute. All rights reserved.
- Copyright (C) 2009 Masaryk University. All rights reserved.
- AutoGrid is a Trade Mark of The Scripps Research Institute.
- This program is free software; you can redistribute it and/or
- modify it under the terms of the GNU General Public License
- as published by the Free Software Foundation; either version 2
- of the License, or (at your option) any later version.
- This program is distributed in the hope that it will be useful,
- but WITHOUT ANY WARRANTY; without even the implied warranty of
- MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
- GNU General Public License for more details.
- You should have received a copy of the GNU General Public License
- along with this program; if not, write to the Free Software
- Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
- */
- #pragma once
- #include "cuda_internal/Interface.h"
- #include "../autogrid.h"
- // This class takes care of uploading data asynchronously to constant memory on the GPU,
- // which requires storing the data in page-locked system memory first.
- class CudaConstantMemory
- {
- public:
- CudaConstantMemory(cudaStream_t stream, CudaInternalAPI *api);
- ~CudaConstantMemory();
- void initDistDepDielLookUpTable(const double *epsilon);
- void setGridMapParameters(const Vec3i &numGridPointsDiv2, double gridSpacing,
- const Vec3i &numGridPointsPadded, float *energiesDevice);
- // this must be called only once and after setGridMapParameters
- void initAtoms(const Vec4d *atoms, int numAtoms, bool calculateSlicesSeparately);
- int getNumAtomSubsets() const { return numAtomSubsets; } // should be called after initAtoms
- void setZSlice(int z); // should be called before setAtomConstMem if used at all
- void setAtomConstMem(int atomSubsetIndex); // copies atoms to constant memory
- private:
- struct Params
- {
- int3 numGridPointsDiv2;
- int3 numGridPointsPadded;
- float gridSpacing;
- float *energiesDevice, *epsilonDevice;
- };
- struct AtomsConstMem;
- CudaInternalAPI *api;
- Params *paramsHost, params;
- AtomsConstMem *atomsHost;
- cudaStream_t stream;
- int *zIndexArray;
- int numAtomSubsets;
- int currentZSlice;
- float *epsilonHost;
- void initZIndexArray();
- };