Add the slicing into the GPU

.dir-locals.el

@@ -13,7 +13,9 @@
                                      (format "%s/include/" root)
                                      (format "%s/" root)
                                      (format "%s/bench/" root)
-                                     (format "%s/build/main/" root)))))
+                                     (format "%s/build/main/" root)))
+                        (setq-local flycheck-clang-include-path
+                                    flycheck-gcc-include-path)))
               (eval . (flycheck-mode))
               (eval . (outline-minor-mode))
               (indent-tabs-mode . nil)

.github/workflows/main.yml

@@ -2,8 +2,6 @@
 name: CI
 
 on:
-  push:
-    branches: [ master, cuda ]
   pull_request:
     branches: [ master, cuda ]
 

bench/Makefile.am

@@ -19,7 +19,7 @@ BENCHES_LDADD = $(ATRIP_LIB) $(ATRIP_CTF)
 ## main entry point and bench
 ##
 bin_PROGRAMS += atrip
-atrip_SOURCES = test_main.cxx
+atrip_SOURCES = main.cxx
 atrip_CPPFLAGS = $(AM_CPPFLAGS)
 atrip_LDADD = $(BENCHES_LDADD)
 

configure.ac

@@ -21,26 +21,6 @@ AC_ARG_ENABLE(shared,
                                      files (default=YES)]),
               [], [enable_shared=yes])
 
-AC_ARG_ENABLE(
-    [slice],
-    [AS_HELP_STRING(
-      [--disable-slice],
-      [Disable the step of slicing tensors for CTF, this is useful for example for benchmarking or testing.])],
-    [atrip_dont_slice=1
-     AC_DEFINE([ATRIP_DONT_SLICE],1,[Wether CTF will slice tensors or skip the step])
-    ],
-    [atrip_dont_slice=0]
-)
-
-AC_ARG_ENABLE(
-    [atrip_dgemm],
-    [AS_HELP_STRING(
-      [--disable-dgemm],
-      [Disable using dgemm for the doubles equations])],
-    [],
-    [AC_DEFINE([ATRIP_USE_DGEMM],1,[Use dgemm for the doubles equations])]
-)
-
 
 AC_ARG_ENABLE([docs],
               [AS_HELP_STRING([--enable-docs],
@@ -74,13 +54,53 @@ AC_ARG_VAR([NVCC], [Path to the nvidia cuda compiler.])
 AC_ARG_VAR([CUDA_LDFLAGS], [LDFLAGS to find libraries -lcuda, -lcudart, -lcublas.])
 AC_ARG_VAR([CUDA_CXXFLAGS], [CXXFLAGS to find the CUDA headers])
 
+dnl -----------------------------------------------------------------------
+dnl ATRIP CPP DEFINES
+dnl -----------------------------------------------------------------------
 
 AC_ARG_WITH([atrip-debug],
             [AS_HELP_STRING([--with-atrip-debug],
-                            [Debug level for atrip, possible values: 1, 2, 3, 4])],
+                            [Debug level for atrip, possible values:
+                                   1, 2, 3, 4])],
             [AC_DEFINE([ATRIP_DEBUG],[atrip-debug],[Atrip debug level])],
-            [AC_DEFINE([ATRIP_DEBUG],[1],[Atrip debug level])]
+            [AC_DEFINE([ATRIP_DEBUG],[1],[Atrip debug level])])
-            )
+
+
+AC_ARG_ENABLE([atrip_dgemm],
+              [AS_HELP_STRING([--disable-dgemm],
+                              [Disable using dgemm for the doubles equations])],
+              [],
+              [AC_DEFINE([ATRIP_USE_DGEMM],
+                         1,
+                         [Use dgemm for the doubles equations])])
+
+ATRIP_DEF([slice], [disable],
+          [ATRIP_DONT_SLICE],
+          [Disable the step of slicing tensors for CTF, this is useful
+          for example for benchmarking or testing.])
+
+ATRIP_DEF([only-dgemm], [enable],
+          [ATRIP_ONLY_DGEMM],
+          [Run only the parts of atrip that involve dgemm calls, this
+          is useful for benchmarking and testing the code, it is
+          intended for developers of Atrip.])
+
+ATRIP_DEF([naive-slow], [enable],
+          [ATRIP_NAIVE_SLOW],
+          [Run slow but correct code for the mapping of (iteration,
+          rank) to tuple of the naive tuple distribution.])
+
+ATRIP_DEF([sources-in-gpu], [enable],
+          [ATRIP_SOURCES_IN_GPU],
+          [When using CUDA, activate storing all sources (slices of
+          the input tensors) in the GPU. This means that a lot of GPUs
+          will be needed.])
+
+ATRIP_DEF([cuda-aware-mpi], [enable],
+          [ATRIP_CUDA_AWARE_MPI],
+          [When using MPI, assume support for CUDA aware mpi by the
+          given MPI implementation.])
+
 
 dnl -----------------------------------------------------------------------
 

etc/m4/atrip-def.m4

@@ -0,0 +1,8 @@
+AC_DEFUN([ATRIP_DEF],
+         [AC_ARG_ENABLE([$1],
+                        [AS_HELP_STRING([--$2-$1],
+                                        [$4])],
+                        [AC_DEFINE([$3],
+                                   1,
+                                   [$4])])])
+

include/atrip/SliceUnion.hpp

@@ -18,6 +18,12 @@
 #include <atrip/Slice.hpp>
 #include <atrip/RankMap.hpp>
 
+#if defined(ATRIP_SOURCES_IN_GPU)
+#  define SOURCES_DATA(s) (s)
+#else
+#  define SOURCES_DATA(s) (s).data()
+#endif
+
 namespace atrip {
 // Prolog:1 ends here
 
@@ -195,7 +201,7 @@ template <typename F=double>
                            ;
           if (blank.info.state == Slice<F>::SelfSufficient) {
 #if defined(HAVE_CUDA)
-            const size_t _size = sizeof(F) * sources[from.source].size();
+            const size_t _size = sizeof(F) * sliceSize;
             // TODO: this is code duplication with downstairs
             if (freePointers.size() == 0) {
               std::stringstream stream;
@@ -212,12 +218,12 @@ template <typename F=double>
             WITH_CHRONO("cuda:memcpy:self-sufficient",
                         _CHECK_CUDA_SUCCESS("copying mpi data to device",
                                             cuMemcpyHtoD(blank.data,
-                                                         (void*)sources[from.source].data(),
+                                                         (void*)SOURCES_DATA(sources[from.source]),
-                                                         sizeof(F) * sources[from.source].size()));
+                                                         sizeof(F) * sliceSize));
                         ))
 
 #else
-            blank.data = sources[from.source].data();
+            blank.data = SOURCES_DATA(sources[from.source]);
 #endif
           } else {
             if (freePointers.size() == 0) {
@@ -396,15 +402,18 @@ template <typename F=double>
               , world(child_world)
               , universe(global_world)
               , sliceLength(sliceLength_)
-              , sources(rankMap.nSources(),
+              , sliceSize(std::accumulate(sliceLength.begin(),
-                        std::vector<F>
-                          (std::accumulate(sliceLength.begin(),
                                           sliceLength.end(),
-                                           1UL, std::multiplies<size_t>())))
+                                          1UL, std::multiplies<size_t>()))
+#if defined(ATRIP_SOURCES_IN_GPU)
+              , sources(rankMap.nSources())
+#else
+              , sources(rankMap.nSources(),
+                        std::vector<F>(sliceSize))
+#endif
               , name(name_)
               , sliceTypes(sliceTypes_)
               , sliceBuffers(nSliceBuffers)
-              //, slices(2 * sliceTypes.size(), Slice<F>{ sources[0].size() })
     { // constructor begin
 
       LOG(0,"Atrip") << "INIT SliceUnion: " << name << "\n";
@@ -412,7 +421,7 @@ template <typename F=double>
       for (auto& ptr: sliceBuffers) {
 #if defined(HAVE_CUDA)
         const CUresult error =
-          cuMemAlloc(&ptr, sizeof(F) * sources[0].size());
+          cuMemAlloc(&ptr, sizeof(F) * sliceSize);
         if (ptr == 0UL) {
           throw "UNSUFICCIENT MEMORY ON THE GRAPHIC CARD FOR FREE POINTERS";
         }
@@ -423,12 +432,12 @@ template <typename F=double>
           throw s.str();
         }
 #else
-        ptr = (DataPtr<F>)malloc(sizeof(F) * sources[0].size());
+        ptr = (DataPtr<F>)malloc(sizeof(F) * sliceSize);
 #endif
       }
 
       slices
-        = std::vector<Slice<F>>(2 * sliceTypes.size(), { sources[0].size() });
+        = std::vector<Slice<F>>(2 * sliceTypes.size(), { sliceSize });
       // TODO: think exactly    ^------------------- about this number
 
       // initialize the freePointers with the pointers to the buffers
@@ -441,12 +450,12 @@ template <typename F=double>
       LOG(1,"Atrip") << "#slices " << slices.size() << "\n";
       WITH_RANK << "#slices[0] " << slices[0].size << "\n";
       LOG(1,"Atrip") << "#sources " << sources.size() << "\n";
-      WITH_RANK << "#sources[0] " << sources[0].size() << "\n";
+      WITH_RANK << "#sources[0] " << sliceSize << "\n";
       WITH_RANK << "#freePointers " << freePointers.size() << "\n";
       LOG(1,"Atrip") << "#sliceBuffers " << sliceBuffers.size() << "\n";
       LOG(1,"Atrip") << "GB*" << np << " "
                            << double(sources.size() + sliceBuffers.size())
-                            * sources[0].size()
+                            * sliceSize
                             * 8 * np
                             / 1073741824.0
                            << "\n";
@@ -495,14 +504,13 @@ template <typename F=double>
       if (otherRank == info.from.rank)      sendData_p = false;
       if (!sendData_p) return;
 
-      MPI_Isend( sources[info.from.source].data()
+      MPI_Isend((void*)SOURCES_DATA(sources[info.from.source]),
-               , sources[info.from.source].size()
+                sliceSize,
-               , traits::mpi::datatypeOf<F>()
+                traits::mpi::datatypeOf<F>(),
-               , otherRank
+                otherRank,
-               , tag
+                tag,
-               , universe
+                universe,
-               , &request
+                &request);
-               );
       WITH_CRAZY_DEBUG
       WITH_RANK << "sent to " << otherRank << "\n";
 
@@ -516,25 +524,26 @@ template <typename F=double>
 
       if (Atrip::rank == info.from.rank) return;
 
-      if (slice.info.state == Slice<F>::Fetch) {
+      if (slice.info.state == Slice<F>::Fetch) { // if-1
         // TODO: do it through the slice class
         slice.info.state = Slice<F>::Dispatched;
 #if defined(HAVE_CUDA)
+#  if !defined(ATRIP_CUDA_AWARE_MPI) && defined(ATRIP_SOURCES_IN_GPU)
+#    error "You need CUDA aware MPI to have slices on the GPU"
+#  endif
         slice.mpi_data = (F*)malloc(sizeof(F) * slice.size);
-        MPI_Irecv( slice.mpi_data
+        MPI_Irecv(slice.mpi_data,
 #else
-        MPI_Irecv( slice.data
+        MPI_Irecv(slice.data,
 #endif
-                 , slice.size
+                  slice.size,
-                 , traits::mpi::datatypeOf<F>()
+                  traits::mpi::datatypeOf<F>(),
-                 , info.from.rank
+                  info.from.rank,
-                 , tag
+                  tag,
-                 , universe
+                  universe,
-                 , &slice.request
+                  &slice.request);
-                //, MPI_STATUS_IGNORE
+       } // if-1
-                 );
+    } // receive
-      }
-    }
 
     void unwrapAll(ABCTuple const& abc) {
       for (auto type: sliceTypes) unwrapSlice(type, abc);
@@ -597,7 +606,12 @@ template <typename F=double>
     const MPI_Comm world;
     const MPI_Comm universe;
     const std::vector<size_t> sliceLength;
+    const size_t sliceSize;
+#if defined(ATRIP_SOURCES_IN_GPU)
+    std::vector< DataPtr<F> > sources;
+#else
     std::vector< std::vector<F> > sources;
+#endif
     std::vector< Slice<F> > slices;
     typename Slice<F>::Name name;
     const std::vector<typename Slice<F>::Type> sliceTypes;

include/atrip/Unions.hpp

@@ -19,8 +19,14 @@
 namespace atrip {
 
   template <typename F=double>
+  static
   void sliceIntoVector
-    ( std::vector<F> &v
+#if defined(ATRIP_SOURCES_IN_GPU)
+    ( DataPtr<F> &source
+#else
+    ( std::vector<F> &source
+#endif
+    , size_t sliceSize
     , CTF::Tensor<F> &toSlice
     , std::vector<int64_t> const low
     , std::vector<int64_t> const up
@@ -44,18 +50,30 @@ namespace atrip {
               << "\n";
 
 #ifndef ATRIP_DONT_SLICE
-    toSlice.slice( toSlice_.low.data()
+    toSlice.slice(toSlice_.low.data(),
-                 , toSlice_.up.data()
+                  toSlice_.up.data(),
-                 , 0.0
+                  0.0,
-                 , origin
+                  origin,
-                 , origin_.low.data()
+                  origin_.low.data(),
-                 , origin_.up.data()
+                  origin_.up.data(),
-                 , 1.0);
+                  1.0);
-    memcpy(v.data(), toSlice.data, sizeof(F) * v.size());
 #else
 #  pragma message("WARNING: COMPILING WITHOUT SLICING THE TENSORS")
 #endif
 
+#if defined(ATRIP_SOURCES_IN_GPU)
+    WITH_CHRONO("cuda:sources",
+                _CHECK_CUDA_SUCCESS("copying sources data to device",
+                                    cuMemcpyHtoD(source,
+                                                 toSlice.data,
+                                                 sliceSize));
+                )
+#else
+    memcpy(source.data(),
+           toSlice.data,
+           sizeof(F) * sliceSize);
+#endif
+
   }
 
 
@@ -80,16 +98,15 @@ namespace atrip {
 
     void sliceIntoBuffer(size_t it, CTF::Tensor<F> &to, CTF::Tensor<F> const& from) override
     {
-      const int Nv = this->sliceLength[0]
-              , No = this->sliceLength[1]
-              , a = this->rankMap.find({static_cast<size_t>(Atrip::rank), it});
-              ;
 
+      const int
+        Nv = this->sliceLength[0],
+        No = this->sliceLength[1],
+        a = this->rankMap.find({static_cast<size_t>(Atrip::rank), it});
 
-      sliceIntoVector<F>( this->sources[it]
+      sliceIntoVector<F>(this->sources[it], this->sliceSize,
-                        , to,   {0, 0, 0},    {Nv, No, No}
+                         to,   {0, 0, 0},    {Nv, No, No},
-                        , from, {a, 0, 0, 0}, {a+1, Nv, No, No}
+                         from, {a, 0, 0, 0}, {a+1, Nv, No, No});
-                        );
 
     }
 
@@ -118,14 +135,13 @@ namespace atrip {
     void sliceIntoBuffer(size_t it, CTF::Tensor<F> &to, CTF::Tensor<F> const& from) override
     {
 
-      const int No = this->sliceLength[0]
+      const int
-              , a = this->rankMap.find({static_cast<size_t>(Atrip::rank), it})
+        No = this->sliceLength[0],
-              ;
+        a = this->rankMap.find({static_cast<size_t>(Atrip::rank), it});
 
-      sliceIntoVector<F>( this->sources[it]
+      sliceIntoVector<F>(this->sources[it], this->sliceSize,
-                        , to,   {0, 0, 0},    {No, No, No}
+                         to,   {0, 0, 0},    {No, No, No},
-                        , from, {0, 0, 0, a}, {No, No, No, a+1}
+                         from, {0, 0, 0, a}, {No, No, No, a+1});
-                        );
 
     }
   };
@@ -153,18 +169,17 @@ namespace atrip {
 
     void sliceIntoBuffer(size_t it, CTF::Tensor<F> &to, CTF::Tensor<F> const& from) override {
 
-      const int Nv = this->sliceLength[0]
+      const int
-              , No = this->sliceLength[1]
+        Nv = this->sliceLength[0],
-              , el = this->rankMap.find({static_cast<size_t>(Atrip::rank), it})
+        No = this->sliceLength[1],
-              , a = el % Nv
+        el = this->rankMap.find({static_cast<size_t>(Atrip::rank), it}),
-              , b = el / Nv
+        a = el % Nv,
-              ;
+        b = el / Nv;
 
 
-      sliceIntoVector<F>( this->sources[it]
+      sliceIntoVector<F>(this->sources[it], this->sliceSize,
-                        , to,   {0, 0},       {Nv, No}
+                         to,   {0, 0},       {Nv, No},
-                        , from, {a, b, 0, 0}, {a+1, b+1, Nv, No}
+                         from, {a, b, 0, 0}, {a+1, b+1, Nv, No});
-                        );
 
     }
 
@@ -191,17 +206,17 @@ namespace atrip {
 
     void sliceIntoBuffer(size_t it, CTF::Tensor<F> &to, CTF::Tensor<F> const& from) override {
 
-      const int Nv = from.lens[0]
+      const int
-              , No = this->sliceLength[1]
+        Nv = from.lens[0],
-              , el = this->rankMap.find({static_cast<size_t>(Atrip::rank), it})
+        No = this->sliceLength[1],
-              , a = el % Nv
+        el = this->rankMap.find({static_cast<size_t>(Atrip::rank), it}),
-              , b = el / Nv
+        a = el % Nv,
-              ;
+        b = el / Nv;
 
-      sliceIntoVector<F>( this->sources[it]
+
-                        , to,   {0, 0},       {No, No}
+      sliceIntoVector<F>(this->sources[it], this->sliceSize,
-                        , from, {a, b, 0, 0}, {a+1, b+1, No, No}
+                         to,   {0, 0},       {No, No},
-                        );
+                         from, {a, b, 0, 0}, {a+1, b+1, No, No});
 
 
     }
@@ -231,17 +246,16 @@ namespace atrip {
     void sliceIntoBuffer(size_t it, CTF::Tensor<F> &to, CTF::Tensor<F> const& from) override {
       // TODO: maybe generalize this with ABHH
 
-      const int Nv = from.lens[0]
+      const int
-              , No = this->sliceLength[1]
+        Nv = from.lens[0],
-              , el = this->rankMap.find({static_cast<size_t>(Atrip::rank), it})
+        No = this->sliceLength[1],
-              , a = el % Nv
+        el = this->rankMap.find({static_cast<size_t>(Atrip::rank), it}),
-              , b = el / Nv
+        a = el % Nv,
-              ;
+        b = el / Nv;
 
-      sliceIntoVector<F>( this->sources[it]
+      sliceIntoVector<F>(this->sources[it], this->sliceSize,
-                        , to,   {0, 0},       {No, No}
+                         to,   {0, 0},       {No, No},
-                        , from, {a, b, 0, 0}, {a+1, b+1, No, No}
+                         from, {a, b, 0, 0}, {a+1, b+1, No, No});
-                        );
 
 
     }

misc/naive-tuples.lisp

@@ -1,3 +1,11 @@
+#+quicklisp
+(eval-when (:compile-toplevel :load-toplevel :execute)
+  (ql:quickload '(vgplot fiveam)))
+
+(defpackage :naive-tuples
+  (:use :cl :vgplot))
+(in-package :naive-tuples)
+
 (defun tuples-atrip (nv)
   (declare (optimize (speed 3) (safety 0) (debug 0)))
   (loop :for a :below nv
@@ -218,58 +226,3 @@
             cheaper
             (print (equal (nth i tuples)
                    cheaper)))))
-
-(let* ((l 101)
-       (tuples (tuples-atrip l)))
-  (loop :for a below l
-        :do (print (let ((s (a-block-atrip a l))
-                         (c (count-if (lambda (x) (eq (car x) a))
-                                      tuples)))
-                     (list :a a
-                           :size s
-                           :real c
-                           :? (eq c s))))))
-
-(ql:quickload 'vgplot)
-(import 'vgplot:plot)
-(import 'vgplot:replot)
-
-(let ((l 10))
-  (plot (mapcar (lambda (x) (getf x :size))
-                (loop :for a upto l
-                      collect (list :a a :size (a-block a l))))
-        "penis"))
-
-(let* ((l 50)
-       (tuples (tuples-half l)))
-  (loop :for a below l
-        :do (print (let ((s (a-block a l))
-                         (c (count-if (lambda (x) (eq (car x) a))
-                                      tuples)))
-                     (list :a a
-                           :size s
-                           :real c
-                           :? (eq c s))))))
-
-(defun range (from to) (loop for i :from from :to to collect i))
-
-(defun half-again (i nv)
-  (let ((a-block-list (let ((ll (mapcar (lambda (i) (a-block i nv))
-                                        (range 0 (- nv 1)))))
-                        (loop :for i :from 1 :to (length ll)
-                              :collect
-                              (reduce #'+
-                                      ll
-                                      :end i)))))
-    (loop :for blk :in a-block-list
-          :with a = 0
-          :with total-blk = 0
-          :if (eq 0 (floor i blk))
-            :do
-               (let ((i (mod i blk)))
-                 (print (list i (- i total-blk) blk a))
-                 (return))
-          :else
-            :do (progn
-                  (incf a)
-                  (setq total-blk blk)))))

src/atrip/Atrip.cxx

@@ -646,6 +646,9 @@ Atrip::Output Atrip::run(Atrip::Input<F> const& in) {
 
     // COMPUTE SINGLES %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% {{{1
     OCD_Barrier(universe);
+#if defined(ATRIP_ONLY_DGEMM)
+    if (false)
+#endif
     if (!isFakeTuple(i)) {
       WITH_CHRONO("oneshot-unwrap",
       WITH_CHRONO("unwrap",
@@ -678,6 +681,9 @@ Atrip::Output Atrip::run(Atrip::Input<F> const& in) {
 
 
     // COMPUTE ENERGY %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% {{{1
+#if defined(ATRIP_ONLY_DGEMM)
+    if (false)
+#endif
     if (!isFakeTuple(i)) {
       double tupleEnergy(0.);
 

src/atrip/DatabaseCommunicator.cxx

@@ -4,8 +4,10 @@
 
 namespace atrip {
 
-  /*   This function is really too slow, below are more performant
+#if defined(ATRIP_NAIVE_SLOW)
-   functions to get tuples.
+  /*
+   * This function is really too slow, below are more performant
+   * functions to get tuples.
    */
   static
   ABCTuples get_nth_naive_tuples(size_t Nv, size_t np, int64_t i) {
@@ -52,33 +54,26 @@ namespace atrip {
     return result;
 
   }
-
+#endif
-  static
-  inline
-  size_t a_block_atrip(size_t a, size_t nv) {
-    return (nv - 1) * (nv - (a - 1))
-         - ((nv - 1) * nv) / 2
-         + ((a - 1) * (a - 2)) / 2
-         - 1;
-  }
 
   static
   inline
   size_t a_block_sum_atrip(int64_t T, int64_t nv) {
-    int64_t nv1 = nv - 1, tplus1 = T + 1;
+    const int64_t nv_min_1 = nv - 1, t_plus_1 = T + 1;
-    return tplus1 * nv1 * nv
+    return t_plus_1 * nv_min_1 * nv
-         + nv1 * tplus1
+         + nv_min_1 * t_plus_1
-         - (nv1 * (T * (T + 1)) / 2)
+         - (nv_min_1 * (T * t_plus_1) / 2)
-         - (tplus1 * (nv1 * nv) / 2)
+         - (t_plus_1 * (nv_min_1 * nv) / 2)
-         + (((T * (T + 1) * (1 + 2 * T)) / 6) - 3 * ((T * (T + 1)) / 2)) / 2
+        // do not simplify this expression, only the addition of both parts
+        // is a pair integer, prepare to endure the consequences of
+        // simplifying otherwise
+         + (((T * t_plus_1 * (1 + 2 * T)) / 6) - 3 * ((T * t_plus_1) / 2)) / 2
          ;
-         // + tplus1;
   }
 
   static
   inline
   int64_t b_block_sum_atrip (int64_t a, int64_t T, int64_t nv) {
-
     return nv * ((T - a) + 1)
          - (T * (T + 1) - a * (a - 1)) / 2
          - 1;
@@ -94,9 +89,6 @@ namespace atrip {
       a_sums.resize(nv);
       for (size_t _i = 0; _i < nv; _i++) {
         a_sums[_i] = a_block_sum_atrip(_i, nv);
-        /*
-        std::cout << Atrip::rank << ": " << _i << " " << a_sums[_i] << std::endl;
-        */
       }
     }
 
@@ -114,10 +106,6 @@ namespace atrip {
     std::vector<int64_t> b_sums(nv - a);
     for (size_t t = a, i=0; t < nv; t++) {
       b_sums[i++] = b_block_sum_atrip(a, t, nv);
-      /*
-      std::cout << Atrip::rank << ": b-sum " << i-1 << " "
-                << ":a " << a << " :t " << t  << " = " << b_sums[i-1] << std::endl;
-      */
     }
     int64_t b = a - 1, block_b = block_a;
     for (const auto& sum: b_sums) {
@@ -141,6 +129,11 @@ namespace atrip {
   inline
   ABCTuples nth_atrip_distributed(int64_t it, size_t nv, size_t np) {
 
+    // If we are getting the previous tuples in the first iteration,
+    // then just return an impossible tuple, different from the FAKE_TUPLE,
+    // because if FAKE_TUPLE is defined as {0,0,0} slices thereof
+    // are actually attainable.
+    //
     if (it < 0) {
       ABCTuples result(np, {nv, nv, nv});
       return result;
@@ -160,9 +153,6 @@ namespace atrip {
     for (size_t rank = 0; rank < np; rank++) {
       const size_t
         global_iteration = tuples_per_rank * rank + it;
-      /*
-      std::cout << Atrip::rank << ":" << "global_bit " <<  global_iteration << "\n";
-      */
       result[rank] = nth_atrip(global_iteration, nv);
     }
 
@@ -248,38 +238,25 @@ namespace atrip {
     using Database = typename Slice<F>::Database;
     Database db;
 
-#ifdef NAIVE_SLOW
+#ifdef ATRIP_NAIVE_SLOW
     WITH_CHRONO("db:comm:naive:tuples",
                 const auto tuples = get_nth_naive_tuples(nv,
                                                          np,
                                                          iteration);
                 const auto prev_tuples = get_nth_naive_tuples(nv,
                                                               np,
-                                                              (int64_t)iteration - 1);
+                                                              iteration - 1);
                 )
 #else
     WITH_CHRONO("db:comm:naive:tuples",
-                const auto tuples = nth_atrip_distributed((int64_t)iteration,
+                const auto tuples = nth_atrip_distributed(iteration,
                                                           nv,
                                                           np);
-                const auto prev_tuples = nth_atrip_distributed((int64_t)iteration - 1,
+                const auto prev_tuples = nth_atrip_distributed(iteration - 1,
                                                                nv,
                                                                np);
                 )
 
-      if (false)
-      for (size_t rank = 0; rank < np; rank++) {
-        std::cout << Atrip::rank << ":"
-                  << " :tuples< " << rank << ">" << iteration
-                  << " :abc " << tuples[rank][0]
-                  << ", " << tuples[rank][1]
-                  << ", " << tuples[rank][2] << "\n";
-        std::cout << Atrip::rank << ":"
-                  << " :prev-tuples< " << rank << ">" << iteration
-                  << " :abc-prev " << prev_tuples[rank][0]
-                  << ", " << prev_tuples[rank][1]
-                  << ", " << prev_tuples[rank][2] << "\n";
-      }
 #endif
 
     for (size_t rank = 0; rank < np; rank++) {

src/atrip/Equations.cxx

@@ -156,7 +156,6 @@ namespace cuda {
    * in order to have an argument in the signature of
    * the function  that helps the compiler know which
    * instantiation it should take.
-   * 
    */
   template <typename F, reordering_t R>
   struct reorder_proxy {};
@@ -436,9 +435,7 @@ double getEnergySame
     , DataFieldType<F>* Tijk_
     ) {
 
-    const size_t a = abc[0], b = abc[1], c = abc[2]
+    const size_t NoNo = No*No;
-              , NoNo = No*No
-              ;
 
     DataFieldType<F>* Tijk = (DataFieldType<F>*)Tijk_;
 
@@ -451,7 +448,7 @@ double getEnergySame
                        >{},                     \
                        No,                      \
                        Tijk,                    \
-                       _t_buffer);
+                       _t_buffer)
 #define DGEMM_PARTICLES(__A, __B)               \
   atrip::xgemm<F>("T",                          \
                   "N",                          \
@@ -482,10 +479,17 @@ double getEnergySame
                   (int const*)&NoNo             \
                   )
 #define MAYBE_CONJ(_conj, _buffer)                                \
+  do {                                                            \
     cuda::maybeConjugate<<<                                       \
+                                                                  \
                             Atrip::kernelDimensions.ooo.blocks,   \
+                                                                  \
                               Atrip::kernelDimensions.ooo.threads \
-    >>>((DataFieldType<F>*)_conj, (DataFieldType<F>*)_buffer, NoNoNo);
+                                                                  \
+                        >>>((DataFieldType<F>*)_conj,             \
+                            (DataFieldType<F>*)_buffer,           \
+                            NoNoNo);                              \
+  } while (0)
 
 
 // END CUDA ////////////////////////////////////////////////////////////////////
@@ -500,7 +504,9 @@ double getEnergySame
 #define REORDER(__II, __JJ, __KK)               \
   reorder(reorder_proxy<DataFieldType<F>,       \
           __II ## __JJ ## __KK >{},             \
-          No, Tijk, _t_buffer);
+          No,                                   \
+          Tijk,                                 \
+          _t_buffer)
 #define DGEMM_PARTICLES(__A, __B)               \
   atrip::xgemm<F>("T",                          \
                   "N",                          \
@@ -532,8 +538,12 @@ double getEnergySame
                   (int const*)&NoNo             \
                   )
 #define MAYBE_CONJ(_conj, _buffer)              \
-  for (size_t __i = 0; __i < NoNoNo; ++__i)       \
+  do {                                          \
-    _conj[__i] = maybeConjugate<F>(_buffer[__i]);
+    for (size_t __i = 0; __i < NoNoNo; ++__i) { \
+      _conj[__i]                                \
+        = maybeConjugate<F>(_buffer[__i]);      \
+    }                                           \
+  } while (0)
 #endif
 
     F one{1.0}, m_one{-1.0}, zero{0.0};
@@ -552,8 +562,12 @@ double getEnergySame
     const size_t
       bs = Atrip::kernelDimensions.ooo.blocks,
       ths = Atrip::kernelDimensions.ooo.threads;
+
+#if !defined(ATRIP_ONLY_DGEMM)
     cuda::zeroing<<<bs, ths>>>((DataFieldType<F>*)_t_buffer, NoNoNo);
     cuda::zeroing<<<bs, ths>>>((DataFieldType<F>*)_vhhh, NoNoNo);
+#endif
+
 #else
     DataFieldType<F>* _t_buffer = (DataFieldType<F>*)malloc(NoNoNo * sizeof(F));
     DataFieldType<F>* _vhhh = (DataFieldType<F>*)malloc(NoNoNo * sizeof(F));
@@ -565,7 +579,7 @@ double getEnergySame
 #endif
 
     // Set Tijk to zero
-#ifdef HAVE_CUDA
+#if defined(HAVE_CUDA) && !defined(ATRIP_ONLY_DGEMM)
     WITH_CHRONO("double:reorder",
                 cuda::zeroing<<<bs, ths>>>((DataFieldType<F>*)Tijk,
                                            NoNoNo);
@@ -577,43 +591,51 @@ double getEnergySame
        })
 #endif
 
+
+#if defined(ATRIP_ONLY_DGEMM)
+#undef MAYBE_CONJ
+#undef REORDER
+#define MAYBE_CONJ(a, b) do {} while(0)
+#define REORDER(i, j, k) do {} while(0)
+#endif
+
     // HOLES
     WITH_CHRONO("doubles:holes",
       {
         // VhhhC[i + k*No + L*NoNo] * TABhh[L + j*No]; H1
-        MAYBE_CONJ(_vhhh, VhhhC)
+        MAYBE_CONJ(_vhhh, VhhhC);
         WITH_CHRONO("doubles:holes:1",
                     DGEMM_HOLES(_vhhh, TABhh, "N");
-                    REORDER(I, K, J)
+                    REORDER(I, K, J);
         )
         // VhhhC[j + k*No + L*NoNo] * TABhh[i + L*No]; H0
         WITH_CHRONO("doubles:holes:2",
                     DGEMM_HOLES(_vhhh, TABhh, "T");
-                    REORDER(J, K, I)
+                    REORDER(J, K, I);
         )
 
         // VhhhB[i + j*No + L*NoNo] * TAChh[L + k*No]; H5
-        MAYBE_CONJ(_vhhh, VhhhB)
+          MAYBE_CONJ(_vhhh, VhhhB);
         WITH_CHRONO("doubles:holes:3",
                     DGEMM_HOLES(_vhhh, TAChh, "N");
-                    REORDER(I, J, K)
+                    REORDER(I, J, K);
         )
         // VhhhB[k + j*No + L*NoNo] * TAChh[i + L*No]; H3
         WITH_CHRONO("doubles:holes:4",
                     DGEMM_HOLES(_vhhh, TAChh, "T");
-                    REORDER(K, J, I)
+                    REORDER(K, J, I);
         )
 
         // VhhhA[j + i*No + L*NoNo] * TBChh[L + k*No]; H1
-        MAYBE_CONJ(_vhhh, VhhhA)
+          MAYBE_CONJ(_vhhh, VhhhA);
         WITH_CHRONO("doubles:holes:5",
                     DGEMM_HOLES(_vhhh, TBChh, "N");
-                    REORDER(J, I, K)
+                    REORDER(J, I, K);
         )
         // VhhhA[k + i*No + L*NoNo] * TBChh[j + L*No]; H4
         WITH_CHRONO("doubles:holes:6",
                     DGEMM_HOLES(_vhhh, TBChh, "T");
-                    REORDER(K, I, J)
+                    REORDER(K, I, J);
         )
       }
     )
@@ -625,32 +647,32 @@ double getEnergySame
         // TAphh[E + i*Nv + j*NoNv] * VBCph[E + k*Nv]; P0
         WITH_CHRONO("doubles:particles:1",
                     DGEMM_PARTICLES(TAphh, VBCph);
-                    REORDER(I, J, K)
+                    REORDER(I, J, K);
         )
         // TAphh[E + i*Nv + k*NoNv] * VCBph[E + j*Nv]; P3
         WITH_CHRONO("doubles:particles:2",
                     DGEMM_PARTICLES(TAphh, VCBph);
-                    REORDER(I, K, J)
+                    REORDER(I, K, J);
         )
         // TCphh[E + k*Nv + i*NoNv] * VABph[E + j*Nv]; P5
         WITH_CHRONO("doubles:particles:3",
                     DGEMM_PARTICLES(TCphh, VABph);
-                    REORDER(K, I, J)
+                    REORDER(K, I, J);
         )
         // TCphh[E + k*Nv + j*NoNv] * VBAph[E + i*Nv]; P2
         WITH_CHRONO("doubles:particles:4",
                     DGEMM_PARTICLES(TCphh, VBAph);
-                    REORDER(K, J, I)
+                    REORDER(K, J, I);
         )
         // TBphh[E + j*Nv + i*NoNv] * VACph[E + k*Nv]; P1
         WITH_CHRONO("doubles:particles:5",
                     DGEMM_PARTICLES(TBphh, VACph);
-                    REORDER(J, I, K)
+                    REORDER(J, I, K);
         )
         // TBphh[E + j*Nv + k*NoNv] * VCAph[E + i*Nv]; P4
         WITH_CHRONO("doubles:particles:6",
                     DGEMM_PARTICLES(TBphh, VCAph);
-                    REORDER(J, K, I)
+                    REORDER(J, K, I);
         )
       }
     )

tools/configure-benches.sh

@@ -0,0 +1,132 @@
+#!/usr/bin/env bash
+# Copyright (C) 2022 by Alejandro Gallo <aamsgallo@gmail.com>
+
+set -eu
+
+flags=("${@}")
+PROJECTS=()
+
+#
+## Check root directory
+#
+root_project=$(git rev-parse --show-toplevel)
+configure=$root_project/configure
+if [[ $(basename $PWD) == $(basename $root_project) ]]; then
+    cat <<EOF
+
+ You are trying to build in the root directory, create a build folder
+ and then configure.
+
+                             mkdir build
+                             cd build
+                             $(readlink -f $0)
+
+EOF
+    exit 1
+fi
+
+[[ -f $configure ]] || {
+    cat <<EOF
+  No configure script at $configure create it with bootstrap.sh or
+
+    autoreconf -vif
+
+EOF
+    exit 1
+}
+
+#
+## Create configuration function
+#
+
+create_config () {
+    file=$1
+    name=$2
+    PROJECTS=(${PROJECTS[@]} "$name")
+    mkdir -p $name
+    cd $name
+    echo "> creating: $name"
+    cat <<SH > configure
+#!/usr/bin/env bash
+# created by $0 on $(date)
+
+$root_project/configure $(cat $file | paste -s) \\
+$(for word in "${flags[@]}"; do
+    printf "  \"%s\"" "$word";
+  done)
+
+
+exit 0
+SH
+    chmod +x configure
+    cd - > /dev/null
+}
+
+#
+## default configuration
+#
+
+tmp=`mktemp`
+cat <<EOF > $tmp
+--disable-slice
+EOF
+
+create_config $tmp default
+rm $tmp
+
+#
+## only-dgemm configuration
+#
+
+tmp=`mktemp`
+cat <<EOF > $tmp
+--disable-slice
+--enable-only-dgemm
+EOF
+
+create_config $tmp only-dgemm
+rm $tmp
+
+#
+## Create makefile
+#
+
+cat <<MAKE > Makefile
+
+all: configure do
+do: configure
+
+configure: ${PROJECTS[@]/%/\/Makefile}
+
+%/Makefile: %/configure
+	cd \$* && ./configure
+
+do: ${PROJECTS[@]/%/\/src\/libatrip.a}
+
+
+%/src/libatrip.a:
+	cd \$* && \$(MAKE)
+
+
+.PHONY: configure do all
+MAKE
+
+cat <<EOF
+
+Now you can do
+
+  make all
+
+or go into one of the directories
+   ${PROJECTS[@]}
+and do
+  ./configure
+  make
+
+EOF
+
+## Emacs stuff
+# Local Variables:
+# eval: (outline-minor-mode)
+# outline-regexp: "## "
+# End: