Merge pull request #2573 from ye-luo/move-around-files

Move all cu files under QMCWaveFunctions to QMCWaveFunctions/detail
QMCPACK · Jul 6, 2020 · 59676fa · 59676fa
2 parents 38afc95 + 93d1cd0
commit 59676fa
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Showing 29 changed files with 30 additions and 28 deletions.
diff --git a/src/QMCWaveFunctions/CMakeLists.txt b/src/QMCWaveFunctions/CMakeLists.txt
@@ -96,23 +96,23 @@ IF(OHMMS_DIM MATCHES 3)
 
   IF(QMC_CUDA)
     SET(WFSSRCS_CUDA
-      Fermion/determinant_update.cu
-      Fermion/delayed_update.cu
+      detail/CUDA_legacy/determinant_update.cu
+      detail/CUDA_legacy/delayed_update.cu
       Fermion/DiracDeterminantCUDA.cpp
       Fermion/SlaterDetCUDA.cpp
       TrialWaveFunction_CUDA.cpp
       )
     SET(WFSSRCS_CUDA ${WFSSRCS_CUDA}
-      Jastrow/BsplineJastrowCuda.cu
-      Jastrow/BsplineJastrowCudaPBC.cu
+      detail/CUDA_legacy/BsplineJastrowCuda.cu
+      detail/CUDA_legacy/BsplineJastrowCudaPBC.cu
       Jastrow/OneBodyJastrowOrbitalBspline.cpp
       Jastrow/TwoBodyJastrowOrbitalBspline.cpp
       )
     IF(HAVE_EINSPLINE)
       SET(WFSSRCS_CUDA ${WFSSRCS_CUDA}
         EinsplineSetCuda.cpp
-        PhaseFactors.cu
-        AtomicOrbitalCuda.cu
+        detail/CUDA_legacy/PhaseFactors.cu
+        detail/CUDA_legacy/AtomicOrbitalCuda.cu
         )
     ENDIF(HAVE_EINSPLINE)
   ENDIF(QMC_CUDA)
@@ -198,8 +198,8 @@ SET(FERMION_SRCS ${FERMION_SRCS}
 
 IF(ENABLE_CUDA)
   SET(WFSSRCS_CUDA ${WFSSRCS_CUDA}
-      Fermion/delayed_update_helper.cu
-      Fermion/matrix_update_helper.cu
+      detail/CUDA/delayed_update_helper.cu
+      detail/CUDA/matrix_update_helper.cu
       )
 ENDIF(ENABLE_CUDA)
 

diff --git a/src/QMCWaveFunctions/EinsplineSet.h b/src/QMCWaveFunctions/EinsplineSet.h
@@ -27,7 +27,7 @@
 #include <spline/einspline_engine.hpp>
 #ifdef QMC_CUDA
 #include <einspline/multi_bspline_create_cuda.h>
-#include "QMCWaveFunctions/AtomicOrbitalCuda.h"
+#include "QMCWaveFunctions/detail/CUDA_legacy/AtomicOrbitalCuda.h"
 #endif
 
 namespace qmcplusplus

diff --git a/src/QMCWaveFunctions/EinsplineSetCuda.cpp b/src/QMCWaveFunctions/EinsplineSetCuda.cpp
@@ -21,8 +21,8 @@
 #include <einspline/multi_bspline.h>
 #include <einspline/multi_bspline_eval_cuda.h>
 #include "Configuration.h"
-#include "AtomicOrbitalCuda.h"
-#include "PhaseFactors.h"
+#include "QMCWaveFunctions/detail/CUDA_legacy/AtomicOrbitalCuda.h"
+#include "QMCWaveFunctions/detail/CUDA_legacy/PhaseFactors.h"
 #ifdef HAVE_MKL
 #include <mkl_vml.h>
 #endif

diff --git a/src/QMCWaveFunctions/Fermion/DelayedUpdateCUDA.h b/src/QMCWaveFunctions/Fermion/DelayedUpdateCUDA.h
@@ -17,7 +17,7 @@
 #include "CUDA/CUDAallocator.hpp"
 #include <CUDA/cuBLAS.hpp>
 #include <CUDA/cusolver.hpp>
-#include "QMCWaveFunctions/Fermion/delayed_update_helper.h"
+#include "QMCWaveFunctions/detail/CUDA/delayed_update_helper.h"
 #include "QMCWaveFunctions/Fermion/DiracMatrix.h"
 #include <cuda_runtime_api.h>
 #include "CUDA/cudaError.h"

diff --git a/src/QMCWaveFunctions/Fermion/DiracDeterminantCUDA.cpp b/src/QMCWaveFunctions/Fermion/DiracDeterminantCUDA.cpp
@@ -20,8 +20,8 @@
 
 #include "DiracDeterminantCUDA.h"
 #include "CUDA_legacy/cuda_inverse.h"
-#include "QMCWaveFunctions/Fermion/determinant_update.h"
-#include "QMCWaveFunctions/Fermion/delayed_update.h"
+#include "QMCWaveFunctions/detail/CUDA_legacy/determinant_update.h"
+#include "QMCWaveFunctions/detail/CUDA_legacy/delayed_update.h"
 #include "Numerics/DeterminantOperators.h"
 #include <unistd.h>
 

diff --git a/src/QMCWaveFunctions/Fermion/DiracDeterminantCUDA.h b/src/QMCWaveFunctions/Fermion/DiracDeterminantCUDA.h
@@ -23,7 +23,7 @@
 #include <typeinfo>
 #include "QMCWaveFunctions/Fermion/DiracDeterminantBase.h"
 #include "QMCWaveFunctions/SPOSet.h"
-#include "QMCWaveFunctions/Fermion/determinant_update.h"
+#include "QMCWaveFunctions/detail/CUDA_legacy/determinant_update.h"
 #include "Utilities/NewTimer.h"
 
 namespace qmcplusplus

diff --git a/src/QMCWaveFunctions/Fermion/MatrixDelayedUpdateCUDA.h b/src/QMCWaveFunctions/Fermion/MatrixDelayedUpdateCUDA.h
@@ -23,7 +23,7 @@
 #include <cuda_runtime_api.h>
 #include "CUDA/cuBLAS.hpp"
 #include "CUDA/cuBLAS_missing_functions.hpp"
-#include "QMCWaveFunctions/Fermion/matrix_update_helper.hpp"
+#include "QMCWaveFunctions/detail/CUDA/matrix_update_helper.hpp"
 #include "CUDA/CUDAallocator.hpp"
 
 namespace qmcplusplus

diff --git a/src/QMCWaveFunctions/Jastrow/OneBodyJastrowOrbitalBspline.cpp b/src/QMCWaveFunctions/Jastrow/OneBodyJastrowOrbitalBspline.cpp
@@ -17,6 +17,8 @@
 #include "OneBodyJastrowOrbitalBspline.h"
 #include "CudaSpline.h"
 #include "Lattice/ParticleBConds.h"
+#include "QMCWaveFunctions/detail/CUDA_legacy/BsplineJastrowCuda.h"
+#include "QMCWaveFunctions/detail/CUDA_legacy/BsplineJastrowCudaPBC.h"
 #include "Configuration.h"
 
 namespace qmcplusplus

diff --git a/src/QMCWaveFunctions/Jastrow/OneBodyJastrowOrbitalBspline.h b/src/QMCWaveFunctions/Jastrow/OneBodyJastrowOrbitalBspline.h
@@ -20,8 +20,7 @@
 #include "QMCWaveFunctions/Jastrow/J1OrbitalSoA.h"
 #include "QMCWaveFunctions/Jastrow/BsplineFunctor.h"
 #include "QMCWaveFunctions/Jastrow/CudaSpline.h"
-#include "QMCWaveFunctions/Jastrow/BsplineJastrowCuda.h"
-#include "QMCWaveFunctions/Jastrow/BsplineJastrowCudaPBC.h"
+#include "QMCWaveFunctions/detail/CUDA_legacy/NLjobGPU.h"
 #include "Configuration.h"
 #include "type_traits/CUDATypes.h"
 

diff --git a/src/QMCWaveFunctions/Jastrow/TwoBodyJastrowOrbitalBspline.cpp b/src/QMCWaveFunctions/Jastrow/TwoBodyJastrowOrbitalBspline.cpp
@@ -17,8 +17,8 @@
 #include "TwoBodyJastrowOrbitalBspline.h"
 #include "CudaSpline.h"
 #include "Lattice/ParticleBConds.h"
-#include "QMCWaveFunctions/Jastrow/BsplineJastrowCuda.h"
-#include "QMCWaveFunctions/Jastrow/BsplineJastrowCudaPBC.h"
+#include "QMCWaveFunctions/detail/CUDA_legacy/BsplineJastrowCuda.h"
+#include "QMCWaveFunctions/detail/CUDA_legacy/BsplineJastrowCudaPBC.h"
 #include <unistd.h>
 
 

diff --git a/src/QMCWaveFunctions/Jastrow/TwoBodyJastrowOrbitalBspline.h b/src/QMCWaveFunctions/Jastrow/TwoBodyJastrowOrbitalBspline.h
@@ -21,7 +21,7 @@
 #include "QMCWaveFunctions/Jastrow/BsplineFunctor.h"
 #include "Configuration.h"
 #include "QMCWaveFunctions/Jastrow/CudaSpline.h"
-#include "NLjobGPU.h"
+#include "QMCWaveFunctions/detail/CUDA_legacy/NLjobGPU.h"
 
 namespace qmcplusplus
 {

diff --git a/...unctions/Fermion/delayed_update_helper.cu → ...ions/detail/CUDA/delayed_update_helper.cu b/...unctions/Fermion/delayed_update_helper.cu → ...ions/detail/CUDA/delayed_update_helper.cu
diff --git a/...Functions/Fermion/delayed_update_helper.h → ...tions/detail/CUDA/delayed_update_helper.h b/...Functions/Fermion/delayed_update_helper.h → ...tions/detail/CUDA/delayed_update_helper.h
diff --git a/...Functions/Fermion/matrix_update_helper.cu → ...tions/detail/CUDA/matrix_update_helper.cu b/...Functions/Fermion/matrix_update_helper.cu → ...tions/detail/CUDA/matrix_update_helper.cu
@@ -10,7 +10,7 @@
 //////////////////////////////////////////////////////////////////////////////////////
 
 
-#include "QMCWaveFunctions/Fermion/matrix_update_helper.hpp"
+#include "matrix_update_helper.hpp"
 #include <cuComplex.h>
 #include "subtractOne.cuh"
 #include <thrust/complex.h>

diff --git a/...unctions/Fermion/matrix_update_helper.hpp → ...ions/detail/CUDA/matrix_update_helper.hpp b/...unctions/Fermion/matrix_update_helper.hpp → ...ions/detail/CUDA/matrix_update_helper.hpp
diff --git a/src/QMCWaveFunctions/Fermion/subtractOne.cuh → ...WaveFunctions/detail/CUDA/subtractOne.cuh b/src/QMCWaveFunctions/Fermion/subtractOne.cuh → ...WaveFunctions/detail/CUDA/subtractOne.cuh
diff --git a/src/QMCWaveFunctions/AtomicOrbitalCuda.cu → ...s/detail/CUDA_legacy/AtomicOrbitalCuda.cu b/src/QMCWaveFunctions/AtomicOrbitalCuda.cu → ...s/detail/CUDA_legacy/AtomicOrbitalCuda.cu
@@ -15,10 +15,10 @@
 //////////////////////////////////////////////////////////////////////////////////////
 
 
+#include "AtomicOrbitalCuda.h"
 #include <cstdio>
 #include <vector>
 #include <complex>
-#include "AtomicOrbitalCuda.h"
 
 
 __constant__ float  Acuda[48];

diff --git a/src/QMCWaveFunctions/AtomicOrbitalCuda.h → ...ns/detail/CUDA_legacy/AtomicOrbitalCuda.h b/src/QMCWaveFunctions/AtomicOrbitalCuda.h → ...ns/detail/CUDA_legacy/AtomicOrbitalCuda.h
diff --git a/...veFunctions/Jastrow/BsplineJastrowCuda.cu → .../detail/CUDA_legacy/BsplineJastrowCuda.cu b/...veFunctions/Jastrow/BsplineJastrowCuda.cu → .../detail/CUDA_legacy/BsplineJastrowCuda.cu
diff --git a/...aveFunctions/Jastrow/BsplineJastrowCuda.h → ...s/detail/CUDA_legacy/BsplineJastrowCuda.h b/...aveFunctions/Jastrow/BsplineJastrowCuda.h → ...s/detail/CUDA_legacy/BsplineJastrowCuda.h
diff --git a/...unctions/Jastrow/BsplineJastrowCudaPBC.cu → ...tail/CUDA_legacy/BsplineJastrowCudaPBC.cu b/...unctions/Jastrow/BsplineJastrowCudaPBC.cu → ...tail/CUDA_legacy/BsplineJastrowCudaPBC.cu
@@ -14,12 +14,12 @@
 //////////////////////////////////////////////////////////////////////////////////////
 
 
-#define MAX_SPLINES 100
 #include <stdio.h>
 #include <config.h>
 #include "BsplineJastrowCudaPBC.h"
 #include "CUDA_legacy/gpu_misc.h"
 
+#define MAX_SPLINES 100
 
 bool AisInitializedPBC = false;
 

diff --git a/...Functions/Jastrow/BsplineJastrowCudaPBC.h → ...etail/CUDA_legacy/BsplineJastrowCudaPBC.h b/...Functions/Jastrow/BsplineJastrowCudaPBC.h → ...etail/CUDA_legacy/BsplineJastrowCudaPBC.h
diff --git a/src/QMCWaveFunctions/Jastrow/NLjobGPU.h → ...veFunctions/detail/CUDA_legacy/NLjobGPU.h b/src/QMCWaveFunctions/Jastrow/NLjobGPU.h → ...veFunctions/detail/CUDA_legacy/NLjobGPU.h
diff --git a/src/QMCWaveFunctions/PhaseFactors.cu → ...ctions/detail/CUDA_legacy/PhaseFactors.cu b/src/QMCWaveFunctions/PhaseFactors.cu → ...ctions/detail/CUDA_legacy/PhaseFactors.cu
@@ -14,6 +14,7 @@
 //////////////////////////////////////////////////////////////////////////////////////
 
 
+#include "PhaseFactors.h"
 #include <assert.h>
 #include <thrust/complex.h>
 

diff --git a/src/QMCWaveFunctions/PhaseFactors.h → ...nctions/detail/CUDA_legacy/PhaseFactors.h b/src/QMCWaveFunctions/PhaseFactors.h → ...nctions/detail/CUDA_legacy/PhaseFactors.h
diff --git a/...MCWaveFunctions/Fermion/delayed_update.cu → ...ions/detail/CUDA_legacy/delayed_update.cu b/...MCWaveFunctions/Fermion/delayed_update.cu → ...ions/detail/CUDA_legacy/delayed_update.cu
@@ -1,3 +1,4 @@
+#include "delayed_update.h"
 #include <cstdio>
 #include <unistd.h>
 #include <sstream>

diff --git a/...QMCWaveFunctions/Fermion/delayed_update.h → ...tions/detail/CUDA_legacy/delayed_update.h b/...QMCWaveFunctions/Fermion/delayed_update.h → ...tions/detail/CUDA_legacy/delayed_update.h
diff --git a/...veFunctions/Fermion/determinant_update.cu → .../detail/CUDA_legacy/determinant_update.cu b/...veFunctions/Fermion/determinant_update.cu → .../detail/CUDA_legacy/determinant_update.cu
@@ -14,8 +14,7 @@
 //////////////////////////////////////////////////////////////////////////////////////
 
 
-#define DET_BLOCK_SIZE 8
-
+#include "determinant_update.h"
 #include <stdio.h>
 #include <unistd.h>
 #include <stdlib.h>
@@ -26,10 +25,10 @@
 //#include <thrust/system/cuda/detail/bulk/uninitialized.hpp>
 #include "CUDA_legacy/uninitialized_array.hpp"
 #endif
-
-#include "determinant_update.h"
 #include "CUDA_legacy/gpu_misc.h"
 
+#define DET_BLOCK_SIZE 8
+
 template<typename T, int BS>
 __global__ void update_inverse_cuda1(updateJob* updateList, int N, int rowstride)
 {

diff --git a/...aveFunctions/Fermion/determinant_update.h → ...s/detail/CUDA_legacy/determinant_update.h b/...aveFunctions/Fermion/determinant_update.h → ...s/detail/CUDA_legacy/determinant_update.h