| /dports/science/gromacs/gromacs-2021.4/src/gromacs/nbnxm/ |
| H A D | nbnxm_gpu_data_mgmt.cpp | 298 reallocateDeviceBuffer(&d_plist->sci, h_plist->sci.size(), &d_plist->nsci, &d_plist->sci_nalloc, in gpu_init_pairlist()
303 reallocateDeviceBuffer(&d_plist->cj4, h_plist->cj4.size(), &d_plist->ncj4, &d_plist->cj4_nalloc, in gpu_init_pairlist()
308 reallocateDeviceBuffer(&d_plist->imask, h_plist->cj4.size() * c_nbnxnGpuClusterpairSplit, in gpu_init_pairlist()
311 reallocateDeviceBuffer(&d_plist->excl, h_plist->excl.size(), &d_plist->nexcl, in gpu_init_pairlist()
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/mdlib/ |
| H A D | leapfrog_gpu.cu | 325 reallocateDeviceBuffer(&d_inverseMasses_, numAtoms_, &numInverseMasses_, in set()
333 reallocateDeviceBuffer(&d_tempScaleGroups_, numAtoms_, &numTempScaleGroups_, in set()
343 reallocateDeviceBuffer(&d_lambdas_, numTempScaleValues_, &numLambdas_, &numLambdasAlloc_, in set()
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| H A D | leapfrog_gpu_sycl.cpp | 285 reallocateDeviceBuffer(&d_inverseMasses_, numAtoms_, &numInverseMasses_, in set()
293 reallocateDeviceBuffer(&d_tempScaleGroups_, numAtoms_, &numTempScaleGroups_, in set()
302 reallocateDeviceBuffer(&d_lambdas_, numTempScaleValues_, &numLambdas_, &numLambdasAlloc_, in set()
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| H A D | update_constrain_gpu_impl.cu | 255 reallocateDeviceBuffer(&d_xp_, numAtoms_, &numXp_, &numXpAlloc_, deviceContext_); in set()
257 reallocateDeviceBuffer(&d_inverseMasses_, numAtoms_, &numInverseMasses_, in set()
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| H A D | gpuforcereduction_impl.cu | 131 reallocateDeviceBuffer(&cellInfo_.d_cell, numAtoms_, &cellInfo_.cellSize, in reinit()
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| H A D | settle_gpu.cu | 598 … reallocateDeviceBuffer(&d_atomIds_, numSettles_, &numAtomIds_, &numAtomIdsAlloc_, deviceContext_); in set()
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/gpu_utils/ |
| H A D | devicebuffer.h | 81 void reallocateDeviceBuffer(DeviceBuffer<ValueType>* buffer, in reallocateDeviceBuffer() function
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/domdec/ |
| H A D | gpuhaloexchange_impl.cu | 175 …reallocateDeviceBuffer(&d_indexMap_, newSize, &indexMapSize_, &indexMapSizeAlloc_, deviceContext_); in reinitHalo()
176 … reallocateDeviceBuffer(&d_sendBuf_, newSize, &sendBufSize_, &sendBufSizeAlloc_, deviceContext_); in reinitHalo()
177 … reallocateDeviceBuffer(&d_recvBuf_, newSize, &recvBufSize_, &recvBufSizeAlloc_, deviceContext_); in reinitHalo()
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/ewald/ |
| H A D | pme_gpu_internal.cpp | 187 reallocateDeviceBuffer(&pmeGpu->kernelParams->grid.d_splineModuli[gridIndex], in pme_gpu_realloc_and_copy_bspline_values()
222 reallocateDeviceBuffer(&pmeGpu->kernelParams->atoms.d_forces, newForcesSize, in pme_gpu_realloc_forces()
259 reallocateDeviceBuffer(&pmeGpu->kernelParams->atoms.d_coefficients[gridIndex], in pme_gpu_realloc_and_copy_input_coefficients()
293 … reallocateDeviceBuffer(&pmeGpu->kernelParams->atoms.d_theta, newSplineDataSize, ¤tSizeTemp, in pme_gpu_realloc_spline_data()
295 reallocateDeviceBuffer(&pmeGpu->kernelParams->atoms.d_dtheta, newSplineDataSize, in pme_gpu_realloc_spline_data()
321 reallocateDeviceBuffer(&pmeGpu->kernelParams->atoms.d_gridlineIndices, newIndicesSize, in pme_gpu_realloc_grid_indices()
351 … reallocateDeviceBuffer(&kernelParamsPtr->grid.d_fourierGrid[gridIndex], newComplexGridSize, in pme_gpu_realloc_grids()
355 reallocateDeviceBuffer(&kernelParamsPtr->grid.d_realGrid[gridIndex], newRealGridSize, in pme_gpu_realloc_grids()
364 reallocateDeviceBuffer(&kernelParamsPtr->grid.d_realGrid[gridIndex], newGridsSize, in pme_gpu_realloc_grids()
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| H A D | pme_pp_comm_gpu_impl.cu | 84 …reallocateDeviceBuffer(&d_pmeForces_, size, &d_pmeForcesSize_, &d_pmeForcesSizeAlloc_, deviceConte… in reinit()
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/nbnxm/cuda/ |
| H A D | nbnxm_cuda_data_mgmt.cu | 580 reallocateDeviceBuffer(&gpu_nbv->cxy_na, maxNumColumns * gridSet.grids().size(), in nbnxn_gpu_init_x_to_nbat_x()
582 reallocateDeviceBuffer(&gpu_nbv->cxy_ind, maxNumColumns * gridSet.grids().size(), in nbnxn_gpu_init_x_to_nbat_x()
596 reallocateDeviceBuffer(&gpu_nbv->atomIndices, atomIndicesSize, &gpu_nbv->atomIndicesSize, in nbnxn_gpu_init_x_to_nbat_x()
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/mdtypes/ |
| H A D | state_propagator_data_gpu_impl_gpu.cpp | 156 reallocateDeviceBuffer(&d_x_, numAtomsPadded, &d_xSize_, &d_xCapacity_, deviceContext_); in reinit()
165 reallocateDeviceBuffer(&d_v_, numAtomsAll_, &d_vSize_, &d_vCapacity_, deviceContext_); in reinit()
167 reallocateDeviceBuffer(&d_f_, numAtomsAll_, &d_fSize_, &d_fCapacity_, deviceContext_); in reinit()
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/gpu_utils/tests/ |
| H A D | device_buffer.cpp | 129 …reallocateDeviceBuffer(&buffer, newNumValues, ¤tNumValues, ¤tMaxNumValues, deviceConte… in TYPED_TEST()
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/listed_forces/ |
| H A D | gpubonded_impl.cu | 235 reallocateDeviceBuffer(&d_iList.iatoms, iList.size(), &d_iList.nr, &d_iList.nalloc, in updateInteractionListsAndDeviceBuffers()
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/domdec/tests/ |
| H A D | haloexchange_mpi.cpp | 139 reallocateDeviceBuffer(&d_x, numAtomsTotal, &d_x_size, &d_x_size_alloc, deviceContext); in gpuHalo()
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