Comment out conjugation, reordering and zeroing in Equations

For testing

.dir-locals.el

@@ -1,20 +0,0 @@
-;;; Directory Local Variables
-;;; For more information see (info "(emacs) Directory Variables")
-
-((c++-mode . ((outline-regexp . "// \\[\\[file:")
-              (eval . (let
-                          ((root
-                            (expand-file-name
-                             (project-root
-                              (project-current)))))
-                        (setq-local flycheck-gcc-include-path
-                                    (list
-                                     (format "%s/vendor/include/" root)
-                                     (format "%s/include/" root)
-                                     (format "%s/" root)
-                                     (format "%s/bench/" root)
-                                     (format "%s/build/main/" root)))))
-              (eval . (flycheck-mode))
-              (eval . (outline-minor-mode))
-              (indent-tabs-mode . nil)
-              (tab-width . 2))))

.gitignore

@@ -25,6 +25,3 @@ config.mk
 /atrip.html
 /TAGS
 /config.h.in
-/result
-/result-dev
-/vendor/

bench/Makefile.am

@@ -1,42 +1,25 @@
 AUTOMAKE_OPTIONS = subdir-objects
 include $(top_srcdir)/atrip.mk
 
-AM_CPPFLAGS = -I$(top_srcdir)/include/ -I$(top_srcdir) $(CTF_CPPFLAGS)
+AM_CPPFLAGS = -I$(top_srcdir)/include/ $(CTF_CPPFLAGS)
 AM_LDFLAGS =   @LAPACK_LIBS@ @BLAS_LIBS@
 
+bin_PROGRAMS = test_main
+test_main_SOURCES = test_main.cxx
+
+
+test_main_LDADD  = \
+	$(top_builddir)/src/libatrip.a
+
 if WITH_BUILD_CTF
-ATRIP_CTF = $(CTF_BUILD_PATH)/lib/libctf.a
+test_main_LDADD += $(CTF_BUILD_PATH)/lib/libctf.a
 else
-ATRIP_CTF = @LIBCTF_LD_LIBRARY_PATH@/libctf.a
+test_main_LDADD += @LIBCTF_LD_LIBRARY_PATH@/libctf.a
 endif
-ATRIP_LIB = $(top_builddir)/src/libatrip.a $(ATRIP_CTF)
-
-bin_PROGRAMS =
-BENCHES_LDADD = $(ATRIP_LIB) $(ATRIP_CTF)
-
-
-##
-## main entry point and bench
-##
-bin_PROGRAMS += atrip
-atrip_SOURCES = test_main.cxx
-atrip_CPPFLAGS = $(AM_CPPFLAGS)
-atrip_LDADD = $(BENCHES_LDADD)
-
-
-if !WITH_CUDA
-##
-## tuples distribution
-##
-bin_PROGRAMS += tuples-distribution
-tuples_distribution_LDADD  = $(BENCHES_LDADD)
-tuples_distribution_SOURCES = tuples-distribution.cxx
-endif
-
 
 if WITH_CUDA
-AM_CPPFLAGS += $(CUDA_CXXFLAGS)
-BENCHES_LDADD += $(CUDA_LDFLAGS)
+test_main_CXXFLAGS = $(CUDA_CXXFLAGS)
+test_main_LDADD += $(CUDA_LDFLAGS)
 
 AM_CXXFLAGS = $(CUDA_CXXFLAGS)
 AM_LDFLAGS += $(CUDA_LDFLAGS)

bench/tuples-distribution.cxx

@@ -1,443 +0,0 @@
-#include <iostream>
-#define ATRIP_DEBUG 2
-#include <atrip/Atrip.hpp>
-#include <atrip/Tuples.hpp>
-#include <atrip/Unions.hpp>
-#include <bench/CLI11.hpp>
-#include <bench/utils.hpp>
-
-using namespace atrip;
-
-using F = double;
-using Tr = CTF::Tensor<F>;
-
-#define INIT_DRY(name, ...)                                       \
-  do {                                                            \
-    std::vector<int64_t> lens = __VA_ARGS__;                      \
-    int i = -1;                                                   \
-    name.order = lens.size();                                     \
-    name.lens = (int64_t*)malloc(sizeof(int64_t) * lens.size());  \
-    name.sym = (int*)malloc(sizeof(int) * lens.size());           \
-    name.lens[++i] = lens[i]; name.lens[++i] = lens[i];           \
-    name.lens[++i] = lens[i]; name.lens[++i] = lens[i];           \
-    i = 0;                                                        \
-    name.sym[i++] = NS; name.sym[i++] = NS;                       \
-    name.sym[i++] = NS; name.sym[i++] = NS;                       \
-  } while (0)
-
-#define DEINIT_DRY(name)                        \
-  do {                                          \
-    name.order = 0;                             \
-    name.lens = NULL;                           \
-    name.sym = NULL;                            \
-  } while (0)
-
-using LocalDatabase = typename Slice<F>::LocalDatabase;
-using LocalDatabaseElement = typename Slice<F>::LocalDatabaseElement;
-
-LocalDatabase buildLocalDatabase(SliceUnion<F> &u,
-                                 ABCTuple const& abc) {
-  LocalDatabase result;
-
-  auto const needed = u.neededSlices(abc);
-
-  // BUILD THE DATABASE
-  // we need to loop over all sliceTypes that this TensorUnion
-  // is representing and find out how we will get the corresponding
-  // slice for the abc we are considering right now.
-  for (auto const& pair: needed) {
-    auto const type = pair.first;
-    auto const tuple = pair.second;
-    auto const from  = u.rankMap.find(abc, type);
-
-    {
-      // FIRST: look up if there is already a *Ready* slice matching what we
-      // need
-      auto const& it
-        = std::find_if(u.slices.begin(), u.slices.end(),
-                       [&tuple, &type](Slice<F> const& other) {
-                         return other.info.tuple == tuple
-                           && other.info.type == type
-                           // we only want another slice when it
-                           // has already ready-to-use data
-                           && other.isUnwrappable()
-                           ;
-                       });
-      if (it != u.slices.end()) {
-        // if we find this slice, it means that we don't have to do anything
-        result.push_back({u.name, it->info});
-        continue;
-      }
-    }
-
-    //
-    // Try to find a recyling possibility ie. find a slice with the same
-    // tuple and that has a valid data pointer.
-    //
-    auto const& recycleIt
-      = std::find_if(u.slices.begin(), u.slices.end(),
-                     [&tuple, &type](Slice<F> const& other) {
-                       return other.info.tuple == tuple
-                         && other.info.type != type
-                         && other.isRecyclable()
-                         ;
-                     });
-
-    //
-    // if we find this recylce, then we find a Blank slice
-    // (which should exist by construction :THINK)
-    //
-    if (recycleIt != u.slices.end()) {
-      auto& blank = Slice<F>::findOneByType(u.slices, Slice<F>::Blank);
-      // TODO: formalize this through a method to copy information
-      //       from another slice
-      blank.data = recycleIt->data;
-      blank.info.type = type;
-      blank.info.tuple = tuple;
-      blank.info.state = Slice<F>::Recycled;
-      blank.info.from = from;
-      blank.info.recycling = recycleIt->info.type;
-      result.push_back({u.name, blank.info});
-      WITH_RANK << "__db__: RECYCLING: n" << u.name
-                << " " << pretty_print(abc)
-                << " get " << pretty_print(blank.info)
-                << " from " << pretty_print(recycleIt->info)
-                << " ptr " << recycleIt->data
-                << "\n"
-                ;
-      continue;
-    }
-
-    // in this case we have to create a new slice
-    // this means that we should have a blank slice at our disposal
-    // and also the freePointers should have some elements inside,
-    // so we pop a data pointer from the freePointers container
-    {
-      auto& blank = Slice<F>::findOneByType(u.slices, Slice<F>::Blank);
-      blank.info.type = type;
-      blank.info.tuple = tuple;
-      blank.info.from = from;
-
-      // Handle self sufficiency
-      blank.info.state = Atrip::rank == from.rank
-                        ? Slice<F>::SelfSufficient
-                        : Slice<F>::Fetch
-                        ;
-      if (blank.info.state == Slice<F>::SelfSufficient) {
-        blank.data = (F*)0xBADA55;
-      } else {
-        blank.data = (F*)0xA55A55;
-      }
-
-      result.push_back({u.name, blank.info});
-      continue;
-    }
-
-  }
-
-  return result;
-
-}
-
-void clearUnusedSlicesForNext(SliceUnion<F> &u,
-                              ABCTuple const& abc) {
-  auto const needed = u.neededSlices(abc);
-
-  // CLEAN UP SLICES, FREE THE ONES THAT ARE NOT NEEDED ANYMORE
-  for (auto& slice: u.slices) {
-    // if the slice is free, then it was not used anyways
-    if (slice.isFree()) continue;
-
-
-    // try to find the slice in the needed slices list
-    auto const found
-      = std::find_if(needed.begin(), needed.end(),
-                      [&slice] (typename Slice<F>::Ty_x_Tu const& tytu) {
-                        return slice.info.tuple == tytu.second
-                            && slice.info.type == tytu.first
-                            ;
-                      });
-
-    // if we did not find slice in needed, then erase it
-    if (found == needed.end()) {
-
-      // allow to gc unwrapped and recycled, never Fetch,
-      // if we have a Fetch slice then something has gone very wrong.
-      if (!slice.isUnwrapped() && slice.info.state != Slice<F>::Recycled)
-        throw
-          std::domain_error(_FORMAT("Trying to garbage collect (%d, %d) "
-                                    " a non-unwrapped slice! ",
-                                    slice.info.type,
-                                    slice.info.state));
-
-      // it can be that our slice is ready, but it has some hanging
-      // references lying around in the form of a recycled slice.
-      // Of course if we need the recycled slice the next iteration
-      // this would be fatal, because we would then free the pointer
-      // of the slice and at some point in the future we would
-      // overwrite it. Therefore, we must check if slice has some
-      // references in slices and if so then
-      //
-      //  - we should mark those references as the original (since the data
-      //    pointer should be the same)
-      //
-      //  - we should make sure that the data pointer of slice
-      //    does not get freed.
-      //
-      if (slice.info.state == Slice<F>::Ready) {
-        WITH_OCD WITH_RANK
-          << "__gc__:" << "checking for data recycled dependencies\n";
-        auto recycled
-          = Slice<F>::hasRecycledReferencingToIt(u.slices, slice.info);
-        if (recycled.size()) {
-          Slice<F>* newReady = recycled[0];
-          WITH_OCD WITH_RANK
-            << "__gc__:" << "swaping recycled "
-            << pretty_print(newReady->info)
-            << " and "
-            << pretty_print(slice.info)
-            << "\n";
-          newReady->markReady();
-
-          for (size_t i = 1; i < recycled.size(); i++) {
-            auto newRecyled = recycled[i];
-            newRecyled->info.recycling = newReady->info.type;
-            WITH_OCD WITH_RANK
-              << "__gc__:" << "updating recycled "
-              << pretty_print(newRecyled->info)
-              << "\n";
-          }
-
-        }
-      }
-
-      slice.free();
-    }  // we did not find the slice
-
-  }
-}
-
-
-void unwrapSlice(Slice<F>::Type t, ABCTuple abc, SliceUnion<F> *u) {
-  auto& slice = Slice<F>::findByTypeAbc(u->slices, t, abc);
-  switch  (slice.info.state) {
-  case Slice<F>::Dispatched:
-    slice.markReady();
-    break;
-  case Slice<F>::Recycled:
-    unwrapSlice(t, abc, u);
-    break;
-  }
-}
-
-#define PRINT_VARIABLE(v)                                         \
-  do {                                                            \
-    if (!rank) std::cout << "# " << #v << ": " << v << std::endl; \
-  } while (0)
-
-int main(int argc, char** argv) {
-  MPI_Init(&argc, &argv);
-
-  int no(10), nv(100);
-  std::string tuplesDistributionString = "naive";
-
-  CLI::App app{"Main bench for atrip"};
-  app.add_option("--no", no, "Occupied orbitals");
-  app.add_option("--nv", nv, "Virtual orbitals");
-  app.add_option("--dist", tuplesDistributionString, "Which distribution");
-  CLI11_PARSE(app, argc, argv);
-
-  CTF::World world(argc, argv);
-  auto kaun = world.comm;
-  int rank, np;
-  MPI_Comm_rank(kaun, &rank);
-  MPI_Comm_size(kaun, &np);
-  Atrip::init(world.comm);
-
-
-
-  atrip::ABCTuples tuplesList;
-  atrip::TuplesDistribution *dist;
-  {
-    using namespace atrip;
-    if (tuplesDistributionString == "naive") {
-      dist = new NaiveDistribution();
-      tuplesList = dist->getTuples(nv, world.comm);
-    } else if (tuplesDistributionString == "group") {
-      dist = new group_and_sort::Distribution();
-      tuplesList = dist->getTuples(nv, world.comm);
-    } else {
-      std::cout << "--dist should be either naive or group\n";
-      exit(1);
-    }
-  }
-
-  double tuplesListGb
-    = tuplesList.size() * sizeof(tuplesList[0])
-    / 1024.0 / 1024.0 / 1024.0;
-
-  std::cout << "\n";
-  PRINT_VARIABLE(tuplesDistributionString);
-  PRINT_VARIABLE(np);
-  PRINT_VARIABLE(no);
-  PRINT_VARIABLE(nv);
-  PRINT_VARIABLE(tuplesList.size());
-  PRINT_VARIABLE(tuplesListGb);
-
-  // create a fake dry tensor
-  Tr t_abph, t_abhh, t_tabhh, t_taphh, t_hhha;
-  INIT_DRY(t_abph  , {nv, nv, nv, no});
-  INIT_DRY(t_abhh  , {nv, nv, no, no});
-  INIT_DRY(t_tabhh , {nv, nv, no, no});
-  INIT_DRY(t_taphh , {nv, nv, no, no});
-  INIT_DRY(t_hhha  , {no, no, no, nv});
-
-  ABPH<F> abph(t_abph, (size_t)no, (size_t)nv, (size_t)np, kaun, kaun);
-  ABHH<F> abhh(t_abhh, (size_t)no, (size_t)nv, (size_t)np, kaun, kaun);
-  TABHH<F> tabhh(t_tabhh, (size_t)no, (size_t)nv, (size_t)np, kaun, kaun);
-  TAPHH<F> taphh(t_taphh, (size_t)no, (size_t)nv, (size_t)np, kaun, kaun);
-  HHHA<F>  hhha(t_hhha, (size_t)no, (size_t)nv, (size_t)np, kaun, kaun);
-  std::vector< SliceUnion<F>* > unions = {&taphh, &hhha, &abph, &abhh, &tabhh};
-
-
-
-  using Database = typename Slice<F>::Database;
-  auto communicateDatabase
-    = [ &unions
-      , np
-      ] (ABCTuple const& abc, MPI_Comm const& c) -> Database {
-
-        WITH_CHRONO("db:comm:type:do",
-          auto MPI_LDB_ELEMENT = Slice<F>::mpi::localDatabaseElement();
-        )
-
-        WITH_CHRONO("db:comm:ldb",
-          typename Slice<F>::LocalDatabase ldb;
-          for (auto const& tensor: unions) {
-            auto const& tensorDb = buildLocalDatabase(*tensor, abc);
-            ldb.insert(ldb.end(), tensorDb.begin(), tensorDb.end());
-          }
-        )
-
-        Database db(np * ldb.size(), ldb[0]);
-
-        WITH_CHRONO("oneshot-db:comm:allgather",
-        WITH_CHRONO("db:comm:allgather",
-                    MPI_Allgather(ldb.data(),
-                                  /* ldb.size() * sizeof(typename
-                                     Slice<F>::LocalDatabaseElement) */
-                                  ldb.size(),
-                                  MPI_LDB_ELEMENT,
-                                  db.data(),
-                                  /* ldb.size() * sizeof(typename
-                                     Slice<F>::LocalDatabaseElement), */
-                                  ldb.size(),
-                                  MPI_LDB_ELEMENT,
-                                  c);
-        ))
-
-        WITH_CHRONO("db:comm:type:free", MPI_Type_free(&MPI_LDB_ELEMENT);)
-
-        return db;
-      };
-
-  auto doIOPhase
-    = [&unions, &rank, &np] (Database const& db,
-                             std::vector<LocalDatabaseElement> &to_send) {
-
-    const size_t localDBLength = db.size() / np;
-
-    size_t sendTag = 0
-         , recvTag = rank * localDBLength
-         ;
-
-    {
-      // At this point, we have already send to everyone that fits
-      auto const& begin = &db[rank * localDBLength]
-                , end   = begin + localDBLength
-                ;
-      for (auto it = begin; it != end; ++it) {
-        recvTag++;
-        auto const& el = *it;
-        auto& u = unionByName(unions, el.name);
-        auto& slice = Slice<F>::findByInfo(u.slices, el.info);
-        slice.markReady();
-        // u.receive(el.info, recvTag);
-
-      } // recv
-    }
-
-    // SEND PHASE =========================================================
-    for (size_t otherRank = 0; otherRank < np; otherRank++) {
-      auto const& begin = &db[otherRank * localDBLength]
-                , end = begin + localDBLength
-                ;
-      for (auto it = begin; it != end; ++it) {
-        sendTag++;
-        typename Slice<F>::LocalDatabaseElement const& el = *it;
-        if (el.info.from.rank != rank) continue;
-        auto& u = unionByName(unions, el.name);
-        if (el.info.state == Slice<F>::Fetch) {
-          to_send.push_back(el);
-        }
-        // u.send(otherRank, el, sendTag);
-
-      } // send phase
-
-    } // otherRank
-
-
-  };
-
-  std::vector<LocalDatabaseElement>
-    to_send;
-
-  for (size_t it = 0; it < tuplesList.size(); it++) {
-
-
-    const ABCTuple abc = dist->tupleIsFake(tuplesList[it])
-                       ? tuplesList[tuplesList.size() - 1]
-                       : tuplesList[it]
-                 ;
-
-    if (it > 0) {
-      for (auto const& u: unions) {
-        clearUnusedSlicesForNext(*u, abc);
-      }
-    }
-
-    const auto db = communicateDatabase(abc, kaun);
-    doIOPhase(db, to_send);
-
-    if (it % 1000 == 0)
-      std::cout << _FORMAT("%ld :it %ld  %f %% ∷ %ld ∷ %f GB\n",
-                           rank,
-                           it,
-                           100.0 * double(to_send.size()) / double(tuplesList.size()),
-                           to_send.size(),
-                           double(to_send.size()) * sizeof(to_send[0])
-                           / 1024.0 / 1024.0 / 1024.0);
-
-
-    for (auto const& u: unions) {
-      for (auto type: u->sliceTypes) {
-        unwrapSlice(type, abc, u);
-      }
-    }
-
-
-  }
-
-  std::cout << "=========================================================\n";
-  std::cout << "FINISHING, it will segfaulten, that's ok, don't even trip"
-            << std::endl;
-  MPI_Barrier(kaun);
-  DEINIT_DRY(t_abph);
-  DEINIT_DRY(t_abhh);
-  DEINIT_DRY(t_tabhh);
-  DEINIT_DRY(t_taphh);
-  DEINIT_DRY(t_hhha);
-
-  MPI_Finalize();
-  return 0;
-}

bench/utils.hpp

@@ -1,12 +0,0 @@
-#ifndef UTILS_HPP_
-#define UTILS_HPP_
-
-#define _FORMAT(_fmt, ...)                                    \
-  ([&] (void) -> std::string {                                \
-     int _sz = std::snprintf(nullptr, 0, _fmt, __VA_ARGS__);  \
-     std::vector<char>  _out(_sz  +  1);                      \
-     std::snprintf(&_out[0], _out.size(), _fmt, __VA_ARGS__); \
-     return std::string(_out.data());                         \
-   })()
-
-#endif

etc/make/ctf.mk

@@ -16,7 +16,7 @@ $(CTF_SRC_PATH)/configure:
 
 # Here make sure that ctf does not builld with CUDA support
 # since it is broken anyways
-#
+# 
 # Also we patch the file kernel.h because it mostl
 # doesn't work when we try to include ctf in a CUDACC
 # compiler code.

etc/nix/openblas.nix

@@ -20,8 +20,6 @@ in
 
 {
 
-  pkg = myopenblas;
-
   buildInputs = with pkgs; [
     myopenblas
     scalapack

etc/nix/vendor-shell.nix

@@ -1,27 +0,0 @@
-rec {
-
-  directory = "vendor";
-  src = ''
-
-    _add_vendor_cpath () {
-      export CPATH=$CPATH:$1
-      mkdir -p ${directory}/include
-      ln -frs $1/* ${directory}/include/
-    }
-
-    _add_vendor_lib () {
-      mkdir -p ${directory}/lib
-      ln -frs $1/* ${directory}/lib/
-    }
-
-  '';
-
-  cpath = path: ''
-    _add_vendor_cpath ${path}
-  '';
-
-  lib = path: ''
-    _add_vendor_lib ${path}
-  '';
-
-}

include/atrip/DatabaseCommunicator.hpp

@@ -1,20 +0,0 @@
-#pragma once
-#include <atrip/Utils.hpp>
-#include <atrip/Equations.hpp>
-#include <atrip/SliceUnion.hpp>
-#include <atrip/Unions.hpp>
-
-namespace atrip {
-
-  template <typename F>
-  using Unions = std::vector<SliceUnion<F>*>;
-
-  template <typename F>
-  typename Slice<F>::Database
-  naiveDatabase(Unions<F> &unions,
-                size_t nv,
-                size_t np,
-                size_t iteration,
-                MPI_Comm const& c);
-
-}  // namespace atrip

include/atrip/Debug.hpp

@@ -76,7 +76,7 @@
 
 // [[file:~/cuda/atrip/atrip.org::*Macros][Macros:2]]
 #ifndef LOG
-#define LOG(level, name) if (atrip::Atrip::rank == 0) std::cout << name << ": "
+#define LOG(level, name) if (Atrip::rank == 0) std::cout << name << ": "
 #endif
 // Macros:2 ends here
 

include/atrip/Tuples.hpp

@@ -52,7 +52,43 @@ struct TuplesDistribution {
 // Distributing the tuples:1 ends here
 
 // [[file:~/cuda/atrip/atrip.org::*Node%20information][Node information:1]]
-  std::vector<std::string> getNodeNames(MPI_Comm comm);
+std::vector<std::string> getNodeNames(MPI_Comm comm){
+  int rank, np;
+  MPI_Comm_rank(comm, &rank);
+  MPI_Comm_size(comm, &np);
+
+  std::vector<std::string> nodeList(np);
+  char nodeName[MPI_MAX_PROCESSOR_NAME];
+  char *nodeNames = (char*)malloc(np * MPI_MAX_PROCESSOR_NAME);
+  std::vector<int> nameLengths(np)
+                 , off(np)
+                 ;
+  int nameLength;
+  MPI_Get_processor_name(nodeName, &nameLength);
+  MPI_Allgather(&nameLength,
+                1,
+                MPI_INT,
+                nameLengths.data(),
+                1,
+                MPI_INT,
+                comm);
+  for (int i(1); i < np; i++)
+    off[i] = off[i-1] + nameLengths[i-1];
+  MPI_Allgatherv(nodeName,
+                 nameLengths[rank],
+                 MPI_BYTE,
+                 nodeNames,
+                 nameLengths.data(),
+                 off.data(),
+                 MPI_BYTE,
+                 comm);
+  for (int i(0); i < np; i++) {
+    std::string const s(&nodeNames[off[i]], nameLengths[i]);
+    nodeList[i] = s;
+  }
+  std::free(nodeNames);
+  return nodeList;
+}
 // Node information:1 ends here
 
 // [[file:~/cuda/atrip/atrip.org::*Node%20information][Node information:2]]
@@ -64,28 +100,118 @@ struct RankInfo {
   const size_t ranksPerNode;
 };
 
+template <typename A>
+A unique(A const &xs) {
+  auto result = xs;
+  std::sort(std::begin(result), std::end(result));
+  auto const& last = std::unique(std::begin(result), std::end(result));
+  result.erase(last, std::end(result));
+  return result;
+}
+
 std::vector<RankInfo>
-getNodeInfos(std::vector<string> const& nodeNames);
+getNodeInfos(std::vector<string> const& nodeNames) {
+  std::vector<RankInfo> result;
+  auto const uniqueNames = unique(nodeNames);
+  auto const index = [&uniqueNames](std::string const& s) {
+    auto const& it = std::find(uniqueNames.begin(), uniqueNames.end(), s);
+    return std::distance(uniqueNames.begin(), it);
+  };
+  std::vector<size_t> localRanks(uniqueNames.size(), 0);
+  size_t globalRank = 0;
+  for (auto const& name: nodeNames) {
+    const size_t nodeId = index(name);
+    result.push_back({name,
+                      nodeId,
+                      globalRank++,
+                      localRanks[nodeId]++,
+                      (size_t)
+                      std::count(nodeNames.begin(),
+                                 nodeNames.end(),
+                                 name)
+                      });
+  }
+  return result;
+}
 
 struct ClusterInfo {
   const size_t nNodes, np, ranksPerNode;
   const std::vector<RankInfo> rankInfos;
 };
 
-ClusterInfo getClusterInfo(MPI_Comm comm);
+ClusterInfo
+getClusterInfo(MPI_Comm comm) {
+  auto const names = getNodeNames(comm);
+  auto const rankInfos = getNodeInfos(names);
+
+  return ClusterInfo {
+    unique(names).size(),
+    names.size(),
+    rankInfos[0].ranksPerNode,
+    rankInfos
+  };
+
+}
 // Node information:2 ends here
 
 // [[file:~/cuda/atrip/atrip.org::*Naive%20list][Naive list:1]]
-ABCTuples getTuplesList(size_t Nv, size_t rank, size_t np);
+ABCTuples getTuplesList(size_t Nv, size_t rank, size_t np) {
+
+  const size_t
+    // total number of tuples for the problem
+       n = Nv * (Nv + 1) * (Nv + 2) / 6 - Nv
+
+    // all ranks should have the same number of tuples_per_rank
+    , tuples_per_rank = n / np + size_t(n % np != 0)
+
+    // start index for the global tuples list
+    , start = tuples_per_rank * rank
+
+    // end index for the global tuples list
+    , end = tuples_per_rank * (rank + 1)
+    ;
+
+  LOG(1,"Atrip") << "tuples_per_rank = " << tuples_per_rank << "\n";
+  WITH_RANK << "start, end = " << start << ", " << end << "\n";
+  ABCTuples result(tuples_per_rank, FAKE_TUPLE);
+
+  for (size_t a(0), r(0), g(0); a < Nv; a++)
+  for (size_t b(a);             b < Nv; b++)
+  for (size_t c(b);             c < Nv; c++){
+    if ( a == b && b == c ) continue;
+    if ( start <= g && g < end) result[r++] = {a, b, c};
+    g++;
+  }
+
+  return result;
+
+}
 // Naive list:1 ends here
 
 // [[file:~/cuda/atrip/atrip.org::*Naive%20list][Naive list:2]]
-ABCTuples getAllTuplesList(const size_t Nv);
+ABCTuples getAllTuplesList(const size_t Nv) {
+  const size_t n = Nv * (Nv + 1) * (Nv + 2) / 6 - Nv;
+  ABCTuples result(n);
+
+  for (size_t a(0), u(0); a < Nv; a++)
+  for (size_t b(a); b < Nv; b++)
+  for (size_t c(b); c < Nv; c++){
+    if ( a == b && b == c ) continue;
+    result[u++] = {a, b, c};
+  }
+
+  return result;
+}
 // Naive list:2 ends here
 
 // [[file:~/cuda/atrip/atrip.org::*Naive%20list][Naive list:3]]
 struct NaiveDistribution : public TuplesDistribution {
-  ABCTuples getTuples(size_t Nv, MPI_Comm universe) override;
+  ABCTuples getTuples(size_t Nv, MPI_Comm universe) override {
+    int rank, np;
+    MPI_Comm_rank(universe, &rank);
+    MPI_Comm_size(universe, &np);
+    return getTuplesList(Nv, (size_t)rank, (size_t)np);
+  }
 };
 // Naive list:3 ends here
 
@@ -98,12 +224,19 @@ namespace group_and_sort {
 // Right now we distribute the slices in a round robin fashion
 // over the different nodes (NOTE: not mpi ranks but nodes)
 inline
-size_t isOnNode(size_t tuple, size_t nNodes);
+size_t isOnNode(size_t tuple, size_t nNodes) { return tuple % nNodes; }
 
 
 // return the node (or all nodes) where the elements of this
 // tuple are located
-std::vector<size_t> getTupleNodes(ABCTuple const& t, size_t nNodes);
+std::vector<size_t> getTupleNodes(ABCTuple const& t, size_t nNodes) {
+  std::vector<size_t>
+    nTuple = { isOnNode(t[0], nNodes)
+             , isOnNode(t[1], nNodes)
+             , isOnNode(t[2], nNodes)
+             };
+  return unique(nTuple);
+}
 
 struct Info {
   size_t nNodes;
@@ -112,16 +245,302 @@ struct Info {
 // Utils:1 ends here
 
 // [[file:~/cuda/atrip/atrip.org::*Distribution][Distribution:1]]
-ABCTuples specialDistribution(Info const& info, ABCTuples const& allTuples);
+ABCTuples specialDistribution(Info const& info, ABCTuples const& allTuples) {
+
+  ABCTuples nodeTuples;
+  size_t const nNodes(info.nNodes);
+
+  std::vector<ABCTuples>
+      container1d(nNodes)
+    , container2d(nNodes * nNodes)
+    , container3d(nNodes * nNodes * nNodes)
+    ;
+
+  WITH_DBG if (info.nodeId == 0)
+    std::cout << "\tGoing through all "
+              << allTuples.size()
+              << " tuples in "
+              << nNodes
+              << " nodes\n";
+
+  // build container-n-d's
+  for (auto const& t: allTuples) {
+    // one which node(s) are the tuple elements located...
+    // put them into the right container
+    auto const _nodes = getTupleNodes(t, nNodes);
+
+    switch (_nodes.size()) {
+      case 1:
+        container1d[_nodes[0]].push_back(t);
+        break;
+      case 2:
+        container2d[ _nodes[0]
+                   + _nodes[1] * nNodes
+                   ].push_back(t);
+        break;
+      case 3:
+        container3d[ _nodes[0]
+                   + _nodes[1] * nNodes
+                   + _nodes[2] * nNodes * nNodes
+                   ].push_back(t);
+        break;
+    }
+
+  }
+
+  WITH_DBG if (info.nodeId == 0)
+    std::cout << "\tBuilding 1-d containers\n";
+  // DISTRIBUTE 1-d containers
+  // every tuple which is only located at one node belongs to this node
+  {
+    auto const& _tuples = container1d[info.nodeId];
+    nodeTuples.resize(_tuples.size(), INVALID_TUPLE);
+    std::copy(_tuples.begin(), _tuples.end(), nodeTuples.begin());
+  }
+
+  WITH_DBG if (info.nodeId == 0)
+    std::cout << "\tBuilding 2-d containers\n";
+  // DISTRIBUTE 2-d containers
+  //the tuples which are located at two nodes are half/half given to these nodes
+  for (size_t yx = 0; yx < container2d.size(); yx++) {
+
+    auto const& _tuples = container2d[yx];
+      const
+    size_t idx = yx % nNodes
+         // remeber: yx = idy * nNodes + idx
+         , idy = yx / nNodes
+         , n_half = _tuples.size() / 2
+         , size = nodeTuples.size()
+         ;
+
+    size_t nbeg, nend;
+    if (info.nodeId == idx) {
+      nbeg = 0 * n_half;
+      nend = n_half;
+    } else if (info.nodeId == idy) {
+      nbeg = 1 * n_half;
+      nend = _tuples.size();
+    } else {
+      // either idx or idy is my node
+      continue;
+    }
+
+    size_t const nextra = nend - nbeg;
+    nodeTuples.resize(size + nextra, INVALID_TUPLE);
+    std::copy(_tuples.begin() + nbeg,
+              _tuples.begin() + nend,
+              nodeTuples.begin() + size);
+
+  }
+
+  WITH_DBG if (info.nodeId == 0)
+    std::cout << "\tBuilding 3-d containers\n";
+  // DISTRIBUTE 3-d containers
+  for (size_t zyx = 0; zyx < container3d.size(); zyx++) {
+    auto const& _tuples = container3d[zyx];
+
+      const
+    size_t idx = zyx % nNodes
+         , idy = (zyx / nNodes) % nNodes
+         // remember: zyx = idx + idy * nNodes + idz * nNodes^2
+         , idz = zyx / nNodes / nNodes
+         , n_third = _tuples.size() / 3
+         , size = nodeTuples.size()
+         ;
+
+    size_t nbeg, nend;
+    if (info.nodeId == idx) {
+      nbeg = 0 * n_third;
+      nend = 1 * n_third;
+    } else if (info.nodeId == idy) {
+      nbeg = 1 * n_third;
+      nend = 2 * n_third;
+    } else if (info.nodeId == idz) {
+      nbeg = 2 * n_third;
+      nend = _tuples.size();
+    } else {
+      // either idx or idy or idz is my node
+      continue;
+    }
+
+    size_t const nextra = nend - nbeg;
+    nodeTuples.resize(size + nextra, INVALID_TUPLE);
+    std::copy(_tuples.begin() + nbeg,
+              _tuples.begin() + nend,
+              nodeTuples.begin() + size);
+
+  }
+
+
+  WITH_DBG if (info.nodeId == 0) std::cout << "\tswapping tuples...\n";
+  /*
+   *  sort part of group-and-sort algorithm
+   *  every tuple on a given node is sorted in a way that
+   *  the 'home elements' are the fastest index.
+   *  1:yyy 2:yyn(x) 3:yny(x) 4:ynn(x) 5:nyy 6:nyn(x) 7:nny 8:nnn
+   */
+  for (auto &nt: nodeTuples){
+    if ( isOnNode(nt[0], nNodes) == info.nodeId ){ // 1234
+      if ( isOnNode(nt[2], nNodes) != info.nodeId ){ // 24
+        size_t const x(nt[0]);
+        nt[0] = nt[2];         // switch first and last
+        nt[2] = x;
+      }
+      else if ( isOnNode(nt[1], nNodes) != info.nodeId){ // 3
+        size_t const x(nt[0]);
+        nt[0] = nt[1];         // switch first two
+        nt[1] = x;
+      }
+    } else {
+      if ( isOnNode(nt[1], nNodes) == info.nodeId   // 56
+        && isOnNode(nt[2], nNodes) != info.nodeId
+        ) { // 6
+        size_t const x(nt[1]);
+        nt[1] = nt[2];         // switch last two
+        nt[2] = x;
+      }
+    }
+  }
+
+  WITH_DBG if (info.nodeId == 0) std::cout << "\tsorting list of tuples...\n";
+  //now we sort the list of tuples
+  std::sort(nodeTuples.begin(), nodeTuples.end());
+
+  WITH_DBG if (info.nodeId == 0) std::cout << "\trestoring tuples...\n";
+  // we bring the tuples abc back in the order a<b<c
+  for (auto &t: nodeTuples)  std::sort(t.begin(), t.end());
+
+#if ATRIP_DEBUG > 1
+  WITH_DBG if (info.nodeId == 0)
+  std::cout << "checking for validity of " << nodeTuples.size() << std::endl;
+  const bool anyInvalid
+    = std::any_of(nodeTuples.begin(),
+                  nodeTuples.end(),
+                  [](ABCTuple const& t) { return t == INVALID_TUPLE; });
+  if (anyInvalid) throw "Some tuple is invalid in group-and-sort algorithm";
+#endif
+
+  WITH_DBG if (info.nodeId == 0) std::cout << "\treturning tuples...\n";
+  return nodeTuples;
+
+}
 // Distribution:1 ends here
 
 // [[file:~/cuda/atrip/atrip.org::*Main][Main:1]]
-std::vector<ABCTuple> main(MPI_Comm universe, size_t Nv);
+std::vector<ABCTuple> main(MPI_Comm universe, size_t Nv) {
+
+  int rank, np;
+  MPI_Comm_rank(universe, &rank);
+  MPI_Comm_size(universe, &np);
+
+  std::vector<ABCTuple> result;
+
+  auto const nodeNames(getNodeNames(universe));
+  size_t const nNodes = unique(nodeNames).size();
+  auto const nodeInfos = getNodeInfos(nodeNames);
+
+  // We want to construct a communicator which only contains of one
+  // element per node
+  bool const computeDistribution
+    = nodeInfos[rank].localRank == 0;
+
+  std::vector<ABCTuple>
+    nodeTuples
+      = computeDistribution
+      ? specialDistribution(Info{nNodes, nodeInfos[rank].nodeId},
+                            getAllTuplesList(Nv))
+      : std::vector<ABCTuple>()
+      ;
+
+  LOG(1,"Atrip") << "got nodeTuples\n";
+
+  // now we have to send the data from **one** rank on each node
+  // to all others ranks of this node
+    const
+  int color = nodeInfos[rank].nodeId
+    , key = nodeInfos[rank].localRank
+    ;
+
+
+  MPI_Comm INTRA_COMM;
+  MPI_Comm_split(universe, color, key, &INTRA_COMM);
+// Main:1 ends here
+
+// [[file:~/cuda/atrip/atrip.org::*Main][Main:2]]
+size_t const
+  tuplesPerRankLocal
+     = nodeTuples.size() / nodeInfos[rank].ranksPerNode
+     + size_t(nodeTuples.size() % nodeInfos[rank].ranksPerNode != 0)
+     ;
+
+size_t tuplesPerRankGlobal;
+
+MPI_Reduce(&tuplesPerRankLocal,
+           &tuplesPerRankGlobal,
+           1,
+           MPI_UINT64_T,
+           MPI_MAX,
+           0,
+           universe);
+
+MPI_Bcast(&tuplesPerRankGlobal,
+          1,
+          MPI_UINT64_T,
+          0,
+          universe);
+
+LOG(1,"Atrip") << "Tuples per rank: " << tuplesPerRankGlobal << "\n";
+LOG(1,"Atrip") << "ranks per node " << nodeInfos[rank].ranksPerNode << "\n";
+LOG(1,"Atrip") << "#nodes " << nNodes << "\n";
+// Main:2 ends here
+
+// [[file:~/cuda/atrip/atrip.org::*Main][Main:3]]
+size_t const totalTuples
+  = tuplesPerRankGlobal * nodeInfos[rank].ranksPerNode;
+
+if (computeDistribution) {
+  // pad with FAKE_TUPLEs
+  nodeTuples.insert(nodeTuples.end(),
+                    totalTuples - nodeTuples.size(),
+                    FAKE_TUPLE);
+}
+// Main:3 ends here
+
+// [[file:~/cuda/atrip/atrip.org::*Main][Main:4]]
+{
+  // construct mpi type for abctuple
+  MPI_Datatype MPI_ABCTUPLE;
+  MPI_Type_vector(nodeTuples[0].size(), 1, 1, MPI_UINT64_T, &MPI_ABCTUPLE);
+  MPI_Type_commit(&MPI_ABCTUPLE);
+
+  LOG(1,"Atrip") << "scattering tuples \n";
+
+  result.resize(tuplesPerRankGlobal);
+  MPI_Scatter(nodeTuples.data(),
+              tuplesPerRankGlobal,
+              MPI_ABCTUPLE,
+              result.data(),
+              tuplesPerRankGlobal,
+              MPI_ABCTUPLE,
+              0,
+              INTRA_COMM);
+
+  MPI_Type_free(&MPI_ABCTUPLE);
+
+}
+// Main:4 ends here
+
+// [[file:~/cuda/atrip/atrip.org::*Main][Main:5]]
+return result;
+
+}
 // Main:5 ends here
 
 // [[file:~/cuda/atrip/atrip.org::*Interface][Interface:1]]
 struct Distribution : public TuplesDistribution {
-  ABCTuples getTuples(size_t Nv, MPI_Comm universe) override;
+  ABCTuples getTuples(size_t Nv, MPI_Comm universe) override {
+    return main(universe, Nv);
+  }
 };
 // Interface:1 ends here
 

misc/naive-tuples.lisp

@@ -1,275 +0,0 @@
-(defun tuples-atrip (nv)
-  (declare (optimize (speed 3) (safety 0) (debug 0)))
-  (loop :for a :below nv
-        :append
-        (loop :for b :from a :below nv
-              :append
-              (loop :for c :from b :below nv
-                    :unless (= a b c)
-                      :collect (list a b c)))))
-
-(defun tuples-half (nv)
-  (declare (optimize (speed 3) (safety 0) (debug 0)))
-  (loop :for a :below nv
-        :append
-        (loop :for b :from a :below nv
-              :append
-              (loop :for c :from b :below nv
-                    :collect (list a b c)))))
-
-(defun tuples-all (nv)
-  (declare (optimize (speed 3) (safety 0) (debug 0)))
-  (loop :for a :below nv
-        :append
-        (loop :for b :below nv
-              :append
-              (loop :for c :below nv
-                    :collect (list a b c)))))
-
-(defun tuples-all-nth (i nv)
-  (declare (optimize (speed 3) (safety 0) (debug 0)))
-  (list (floor i (* nv nv))
-        (mod (floor i nv) nv)
-        (mod i nv)))
-
-
-(defparameter tups (tuples-all 10))
-
-(defun compare-all (l)
-  (declare (optimize (speed 3) (safety 0) (debug 0)))
-  (let* ((tups (tuples-all l)))
-    (loop for i below (length tups)
-          do (let* ((good (nth i tups))
-                    (bad (tuples-all-nth i l))
-                    (eq? (equal good bad)))
-               (unless eq?
-                 (print (list :|i| i
-                              :good good
-                              :bad bad)))))))
-
-
-;; (defun a-half (i nv)
-;;   (let ((divisor t)
-;;         (j i)
-;;         (total-blk 0))
-;;     (loop :for a :below nv
-;;           :unless (eq divisor 0)
-;;             :do (let ((blk (a-block a nv)))
-;;                   (multiple-value-bind (d r) (floor j blk)
-;;                     (declare (ignore r))
-;;                     (when (> d 0)
-;;                       (incf total-blk blk))
-;;                     (setq j (- j blk)
-;;                           divisor d)))
-;;           :else
-;;             :return (values (- a 1)
-;;                             i
-;;                             total-blk))))
-
-;; (defun b-half (i a nv a-block-sum)
-;;   "we have
-;;     \begin{equation}
-;;       i = \underbrace{B(a_0) +
-;;                       \cdots +
-;;                       B(a_{i-1})}_{\texttt{a-block-sum}}
-;;          + idx
-;;     \end{equation}
-;;     and with this we just have to divide.
-;;   "
-;;   (let ((bj (if (> a-block-sum 0)
-;;                 (mod i a-block-sum)
-;;                 i))
-;;         (total-blk 0))
-;;     (loop :for b :from a :below Nv
-;;           :with divisor = 1
-;;           :unless (eq divisor 0)
-;;             :do (let ((blk (+ (- nv a)
-;;                               #|because|# 1)))
-;;                   (incf total-blk blk)
-;;                   (if (> blk 0)
-;;                       (multiple-value-bind (d r) (floor bj blk)
-;;                         (declare (ignore r))
-;;                         (setq bj (- bj blk)
-;;                               divisor d))
-;;                       (setq divisor 0)))
-;;           :else
-;;             :return (values (- b 1)
-;;                             bj
-;;                             total-blk))))
-
-(defun a-block (a nv)
-  (declare (optimize (speed 3) (safety 0) (debug 0)))
-  (- (* (- nv 1) (- nv (- a 1)))
-     (- (floor (* (- nv 1) nv)
-               2)
-        (floor (* (- a 1) (- a 2))
-               2))))
-
-(defun a-block-sum (|t| nv)
-  (macrolet ((ssum (n) `(floor (* ,n (+ ,n 1))
-                               2))
-             (qsum (n) `(floor (* ,n
-                                  (+ ,n 1)
-                                  (+ 1 (* 2 ,n)))
-                               6)))
-    (let ((nv-1 (- nv 1))
-          (t+1 (+ |t| 1)))
-      (+ (* t+1 nv-1 nv)
-         (* nv-1 t+1)
-         (- (* nv-1
-               (ssum |t|)))
-         (- (* t+1
-               (ssum nv-1)))
-         (floor (- (qsum |t|)
-                   (* 3 (ssum |t|)))
-                2)
-         t+1))))
-
-(defun get-half (i nv &key from block)
-  (let ((divisor 1)
-        (j i)
-        (total-blk 0))
-    (loop :for α :from from :below nv
-          :unless (eq divisor 0)
-            :do (let ((blk (funcall block α nv)))
-                  (multiple-value-bind (d r) (floor j blk)
-                    (declare (ignore r))
-                    (when (> d 0)
-                      (incf total-blk blk)
-                      (setq j (- j blk)))
-                    (setq divisor d)))
-          :else
-            :return (values (- α 1)
-                            j
-                            total-blk))))
-
-(defun tuples-half-nth (i nv)
-  (declare (optimize (speed 3) (safety 0) (debug 0)))
-  (flet ((bc-block (x %nv)
-           (+ 1 (- %nv x))))
-    (multiple-value-bind (a aj blks) (get-half i nv :from 0 :block #'a-block)
-      (declare (ignore blks))
-      (multiple-value-bind (b bj blks) (get-half aj nv
-                                                 :from a
-                                                 :block #'bc-block)
-        (declare (ignore blks))
-        (multiple-value-bind (c cj blks) (get-half bj nv
-                                                   :from b
-                                                   :block #'bc-block)
-          (declare (ignore cj blks))
-          (print (list :idxs aj bj cj))
-          (list a b c))))))
-
-(defun a-block-atrip (a nv)
-  (declare (optimize (speed 3) (safety 0) (debug 0)))
-  (- (a-block a nv) 1))
-
-(defun a-block-sum-atrip (|t| nv)
-  (declare (optimize (speed 3) (safety 0) (debug 0)))
-  (- (a-block-sum |t| nv) (+ |t| 1)))
-
-(defun b-block-sum-atrip (a |t| nv)
-  (- (* nv
-        (1+ (- |t| a)))
-     (floor (- (* |t| (1+ |t|))
-               (* a (- a 1)))
-            2)
-     1))
-
-(defun nth-atrip (i nv)
-  (let ((sums (mapcar (lambda (s) (a-block-sum-atrip s nv))
-                      (loop :for j :below nv :collect j))))
-    (multiple-value-bind (a ablk)
-        (loop :for sum :in sums
-              :with a = -1
-              :with base = 0
-              :do (incf a)
-              :if (eq (floor i sum) 0)
-                :return (values a base)
-              :else
-                :do (setq base sum))
-      (multiple-value-bind (b bblk)
-          (let ((sums (mapcar (lambda (s)
-                                (+ ablk
-                                   #+nil(- nv s 1)
-                                   (b-block-sum-atrip a s nv)))
-                              (loop :for b :from a :below nv
-                                    :collect b))))
-            (loop :for sum :in sums
-                  :with b = (- a 1)
-                  :with base = ablk
-                  :do (incf b)
-                  :if (< i sum)
-                    :return (values b base)
-                  :else
-                    :do (progn
-                          ;; (print sums)
-                          (setq base sum))))
-        (list a b (+ b
-                     (- i bblk)
-                     (if (eq a b)
-                         1
-                         0)))))))
-
-(defun atrip-test (i nv)
-  (let ((tuples (tuples-atrip nv))
-        (cheaper (nth-atrip i nv)))
-    (values (nth i tuples)
-            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)))))

shell.nix

@@ -1,5 +1,5 @@
 { compiler ? "gcc"
-, pkgs ? import <nixpkgs> {}
+, pkgs ? import <nixpkgs> {} 
 , mkl ? false
 , cuda ? false
 , docs ? true
@@ -11,8 +11,7 @@ let
     config.allowUnfree = true;
   };
 
-  openblas = import ./etc/nix/openblas.nix { inherit pkgs; };
-  vendor = import ./etc/nix/vendor-shell.nix;
+  openblas = import ./etc/nix/openblas.nix { inherit pkgs; }; 
 
   mkl-pkg = import ./etc/nix/mkl.nix { pkgs = unfree-pkgs; };
   cuda-pkg = if cuda then (import ./cuda.nix { pkgs = unfree-pkgs; }) else {};
@@ -58,15 +57,14 @@ pkgs.mkShell rec {
   buildInputs
     = with pkgs; [
 
-        gdb
         coreutils
-        git
-        vim
+        git vim
 
         openmpi
         llvmPackages.openmp
 
         binutils
+        emacs
         gfortran
 
         gnumake
@@ -86,15 +84,6 @@ pkgs.mkShell rec {
   shellHook
     =
     ''
-
-    ${vendor.src}
-
-    ${vendor.cpath "${pkgs.openmpi.out}/include"}
-    ${vendor.cpath "${openblas.pkg.dev}/include"}
-
-    ${vendor.lib "${pkgs.openmpi.out}/lib"}
-    ${vendor.lib "${openblas.pkg.out}/lib"}
-
     export OMPI_CXX=${CXX}
     export OMPI_CC=${CC}
     CXX=${CXX}

src/Makefile.am

@@ -7,7 +7,7 @@ AM_CPPFLAGS = $(CTF_CPPFLAGS)
 lib_LIBRARIES = libatrip.a
 
 libatrip_a_CPPFLAGS = -I$(top_srcdir)/include/
-libatrip_a_SOURCES = ./atrip/Blas.cxx ./atrip/Tuples.cxx ./atrip/DatabaseCommunicator.cxx
+libatrip_a_SOURCES = ./atrip/Blas.cxx
 NVCC_FILES = ./atrip/Equations.cxx ./atrip/Complex.cxx ./atrip/Atrip.cxx
 
 if WITH_CUDA

src/atrip/Atrip.cxx

@@ -21,7 +21,6 @@
 #include <atrip/SliceUnion.hpp>
 #include <atrip/Unions.hpp>
 #include <atrip/Checkpoint.hpp>
-#include <atrip/DatabaseCommunicator.hpp>
 
 using namespace atrip;
 #if defined(HAVE_CUDA)
@@ -300,23 +299,9 @@ Atrip::Output Atrip::run(Atrip::Input<F> const& in) {
   using Database = typename Slice<F>::Database;
   auto communicateDatabase
     = [ &unions
-      , &in
-      , Nv
       , np
-      ] (ABCTuple const& abc, MPI_Comm const& c, size_t iteration) -> Database {
+      ] (ABCTuple const& abc, MPI_Comm const& c) -> Database {
 
-      if (in.tuplesDistribution == Atrip::Input<F>::TuplesDistribution::NAIVE) {
-
-        WITH_CHRONO("db:comm:naive",
-                    auto const& db = naiveDatabase<F>(unions,
-                                                      Nv,
-                                                      np,
-                                                      iteration,
-                                                      c);
-                    )
-        return db;
-
-      } else {
         WITH_CHRONO("db:comm:type:do",
           auto MPI_LDB_ELEMENT = Slice<F>::mpi::localDatabaseElement();
         )
@@ -349,8 +334,6 @@ Atrip::Output Atrip::run(Atrip::Input<F> const& in) {
         WITH_CHRONO("db:comm:type:free", MPI_Type_free(&MPI_LDB_ELEMENT);)
 
         return db;
-      }
-
       };
 
   auto doIOPhase
@@ -454,7 +437,6 @@ Atrip::Output Atrip::run(Atrip::Input<F> const& in) {
 
   // START MAIN LOOP ======================================================{{{1
 
-  MPI_Barrier(universe);
   double energy(0.);
   size_t first_iteration = 0;
   Checkpoint c;
@@ -582,7 +564,7 @@ Atrip::Output Atrip::run(Atrip::Input<F> const& in) {
     // COMM FIRST DATABASE ================================================{{{1
     if (i == first_iteration) {
       WITH_RANK << "__first__:first database ............ \n";
-      const auto db = communicateDatabase(abc, universe, i);
+      const auto db = communicateDatabase(abc, universe);
       WITH_RANK << "__first__:first database communicated \n";
       WITH_RANK << "__first__:first database io phase \n";
       doIOPhase(db);
@@ -597,7 +579,7 @@ Atrip::Output Atrip::run(Atrip::Input<F> const& in) {
     if (abcNext) {
       WITH_RANK << "__comm__:" << iteration << "th communicating database\n";
       WITH_CHRONO("db:comm",
-        const auto db = communicateDatabase(*abcNext, universe, i);
+        const auto db = communicateDatabase(*abcNext, universe);
       )
       WITH_CHRONO("db:io",
         doIOPhase(db);
@@ -646,6 +628,7 @@ Atrip::Output Atrip::run(Atrip::Input<F> const& in) {
 
     // COMPUTE SINGLES %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% {{{1
     OCD_Barrier(universe);
+    if (false)
     if (!isFakeTuple(i)) {
       WITH_CHRONO("oneshot-unwrap",
       WITH_CHRONO("unwrap",

src/atrip/DatabaseCommunicator.cxx

@@ -1,326 +0,0 @@
-#include <atrip/DatabaseCommunicator.hpp>
-#include <atrip/Complex.hpp>
-
-
-namespace atrip {
-
-  /*   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) {
-
-    const size_t
-      // total number of tuples for the problem
-      n = Nv * (Nv + 1) * (Nv + 2) / 6 - Nv
-
-      // all ranks should have the same number of tuples_per_rank
-      , tuples_per_rank = n / np + size_t(n % np != 0)
-      ;
-
-
-    ABCTuples result(np);
-    if (i < 0) return result;
-    std::vector<size_t>
-      rank_indices(np, 0);
-
-    for (size_t a(0), g(0); a < Nv; a++)
-    for (size_t b(a);       b < Nv; b++)
-    for (size_t c(b);       c < Nv; c++){
-      if ( a == b && b == c ) continue;
-      for (size_t rank = 0; rank < np; rank++) {
-
-        const size_t
-          // start index for the global tuples list
-            start = tuples_per_rank * rank
-
-          // end index for the global tuples list
-          , end = tuples_per_rank * (rank + 1)
-          ;
-
-        if ( start <= g && g < end) {
-          if (rank_indices[rank] == i) {
-            result[rank] = {a, b, c};
-          }
-          rank_indices[rank] += 1;
-        }
-
-      }
-      g++;
-    }
-
-    return result;
-
-  }
-
-  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;
-    return tplus1 * nv1 * nv
-         + nv1 * tplus1
-         - (nv1 * (T * (T + 1)) / 2)
-         - (tplus1 * (nv1 * nv) / 2)
-         + (((T * (T + 1) * (1 + 2 * T)) / 6) - 3 * ((T * (T + 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;
-  }
-
-  static std::vector<size_t> a_sums;
-  static
-  inline
-  ABCTuple nth_atrip(size_t it, size_t nv) {
-
-    // build the sums if necessary
-    if (!a_sums.size()) {
-      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;
-        */
-      }
-    }
-
-    int64_t a = -1, block_a = 0;
-    for (const auto& sum: a_sums) {
-      ++a;
-      if (sum > it) {
-        break;
-      } else {
-        block_a = sum;
-      }
-    }
-
-    // build the b_sums
-    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) {
-      ++b;
-      if (sum + block_a > it) {
-        break;
-      } else {
-        block_b = sum + block_a;
-      }
-    }
-
-
-    const int64_t
-      c = b + it - block_b + (a == b);
-
-    return {(size_t)a, (size_t)b, (size_t)c};
-
-  }
-
-  static
-  inline
-  ABCTuples nth_atrip_distributed(int64_t it, size_t nv, size_t np) {
-
-    if (it < 0) {
-      ABCTuples result(np, {nv, nv, nv});
-      return result;
-    }
-
-    ABCTuples result(np);
-
-    const size_t
-      // total number of tuples for the problem
-      n = nv * (nv + 1) * (nv + 2) / 6 - nv
-
-      // all ranks should have the same number of tuples_per_rank
-      , tuples_per_rank = n / np + size_t(n % np != 0)
-      ;
-
-
-    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);
-    }
-
-    return result;
-  }
-
-
-  template <typename F>
-  static
-  typename Slice<F>::LocalDatabase
-  build_local_database_fake(ABCTuple const& abc_prev,
-                            ABCTuple const& abc,
-                            size_t rank,
-                            SliceUnion<F>* u) {
-
-    typename Slice<F>::LocalDatabase result;
-
-    // vector of type x tuple
-    auto const needed = u->neededSlices(abc);
-    auto const needed_prev = u->neededSlices(abc_prev);
-
-    for (auto const& pair: needed) {
-      auto const type = pair.first;
-      auto const tuple = pair.second;
-      auto const from  = u->rankMap.find(abc, type);
-
-      // Try to find in the previously needed slices
-      // one that exactly matches the tuple.
-      // Not necessarily has to match the type.
-      //
-      // If we find it, then it means that the fake rank
-      // will mark it as recycled. This covers
-      // the finding of Ready slices and Recycled slices.
-      {
-        auto const& it
-          = std::find_if(needed_prev.begin(), needed_prev.end(),
-                         [&tuple, &type](typename Slice<F>::Ty_x_Tu const& o) {
-                           return o.second == tuple;
-                         });
-
-        if (it != needed_prev.end()) {
-          typename Slice<F>::Info info;
-          info.tuple = tuple;
-          info.type = type;
-          info.from = from;
-          info.state = Slice<F>::Recycled;
-          result.push_back({u->name, info});
-          continue;
-        }
-      }
-
-      {
-        typename Slice<F>::Info info;
-        info.type = type;
-        info.tuple = tuple;
-        info.from = from;
-
-        // Handle self sufficiency
-        info.state = rank == from.rank
-                   ? Slice<F>::SelfSufficient
-                   : Slice<F>::Fetch
-                   ;
-        result.push_back({u->name, info});
-        continue;
-      }
-
-    }
-
-    return result;
-
-  }
-
-
-
-  template <typename F>
-  typename Slice<F>::Database
-  naiveDatabase(Unions<F> &unions,
-                size_t nv,
-                size_t np,
-                size_t iteration,
-                MPI_Comm const& c) {
-
-    using Database = typename Slice<F>::Database;
-    Database db;
-
-#ifdef 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);
-                )
-#else
-    WITH_CHRONO("db:comm:naive:tuples",
-                const auto tuples = nth_atrip_distributed((int64_t)iteration,
-                                                          nv,
-                                                          np);
-                const auto prev_tuples = nth_atrip_distributed((int64_t)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++) {
-      auto abc = tuples[rank];
-      typename Slice<F>::LocalDatabase ldb;
-
-      for (auto const& tensor: unions) {
-        if (rank == Atrip::rank) {
-          auto const& tensorDb = tensor->buildLocalDatabase(abc);
-          ldb.insert(ldb.end(), tensorDb.begin(), tensorDb.end());
-        } else {
-          auto const& tensorDb
-            = build_local_database_fake(prev_tuples[rank],
-                                        abc,
-                                        rank,
-                                        tensor);
-          ldb.insert(ldb.end(), tensorDb.begin(), tensorDb.end());
-        }
-      }
-
-      db.insert(db.end(), ldb.begin(), ldb.end());
-
-    }
-
-    return db;
-  }
-
-  template
-  typename Slice<double>::Database
-  naiveDatabase<double>(Unions<double> &unions,
-                size_t nv,
-                size_t np,
-                size_t iteration,
-                MPI_Comm const& c);
-
-  template
-  typename Slice<Complex>::Database
-  naiveDatabase<Complex>(Unions<Complex> &unions,
-                size_t nv,
-                size_t np,
-                size_t iteration,
-                MPI_Comm const& c);
-
-}  // namespace atrip

src/atrip/Equations.cxx

@@ -552,8 +552,8 @@ double getEnergySame
     const size_t
       bs = Atrip::kernelDimensions.ooo.blocks,
       ths = Atrip::kernelDimensions.ooo.threads;
-    cuda::zeroing<<<bs, ths>>>((DataFieldType<F>*)_t_buffer, NoNoNo);
-    cuda::zeroing<<<bs, ths>>>((DataFieldType<F>*)_vhhh, NoNoNo);
+    //cuda::zeroing<<<bs, ths>>>((DataFieldType<F>*)_t_buffer, NoNoNo);
+    //cuda::zeroing<<<bs, ths>>>((DataFieldType<F>*)_vhhh, NoNoNo);
 #else
     DataFieldType<F>* _t_buffer = (DataFieldType<F>*)malloc(NoNoNo * sizeof(F));
     DataFieldType<F>* _vhhh = (DataFieldType<F>*)malloc(NoNoNo * sizeof(F));
@@ -567,8 +567,8 @@ double getEnergySame
     // Set Tijk to zero
 #ifdef HAVE_CUDA
     WITH_CHRONO("double:reorder",
-                cuda::zeroing<<<bs, ths>>>((DataFieldType<F>*)Tijk,
-                                           NoNoNo);
+                //cuda::zeroing<<<bs, ths>>>((DataFieldType<F>*)Tijk,
+                //NoNoNo);
                 )
 #else
     WITH_CHRONO("double:reorder",
@@ -581,39 +581,39 @@ double getEnergySame
     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 +625,32 @@ 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)
         )
       }
     )

src/atrip/Tuples.cxx

@@ -1,464 +0,0 @@
-#include <atrip/Tuples.hpp>
-#include <atrip/Atrip.hpp>
-
-namespace atrip {
-
-template <typename A>
-static A unique(A const &xs) {
-  auto result = xs;
-  std::sort(std::begin(result), std::end(result));
-  auto const& last = std::unique(std::begin(result), std::end(result));
-  result.erase(last, std::end(result));
-  return result;
-}
-
-
-std::vector<std::string> getNodeNames(MPI_Comm comm){
-  int rank, np;
-  MPI_Comm_rank(comm, &rank);
-  MPI_Comm_size(comm, &np);
-
-  std::vector<std::string> nodeList(np);
-  char nodeName[MPI_MAX_PROCESSOR_NAME];
-  char *nodeNames = (char*)malloc(np * MPI_MAX_PROCESSOR_NAME);
-  std::vector<int> nameLengths(np)
-                 , off(np)
-                 ;
-  int nameLength;
-  MPI_Get_processor_name(nodeName, &nameLength);
-  MPI_Allgather(&nameLength,
-                1,
-                MPI_INT,
-                nameLengths.data(),
-                1,
-                MPI_INT,
-                comm);
-  for (int i(1); i < np; i++)
-    off[i] = off[i-1] + nameLengths[i-1];
-  MPI_Allgatherv(nodeName,
-                 nameLengths[rank],
-                 MPI_BYTE,
-                 nodeNames,
-                 nameLengths.data(),
-                 off.data(),
-                 MPI_BYTE,
-                 comm);
-  for (int i(0); i < np; i++) {
-    std::string const s(&nodeNames[off[i]], nameLengths[i]);
-    nodeList[i] = s;
-  }
-  std::free(nodeNames);
-  return nodeList;
-}
-
-
-
-std::vector<RankInfo>
-getNodeInfos(std::vector<string> const& nodeNames) {
-  std::vector<RankInfo> result;
-  auto const uniqueNames = unique(nodeNames);
-  auto const index = [&uniqueNames](std::string const& s) {
-    auto const& it = std::find(uniqueNames.begin(), uniqueNames.end(), s);
-    return std::distance(uniqueNames.begin(), it);
-  };
-  std::vector<size_t> localRanks(uniqueNames.size(), 0);
-  size_t globalRank = 0;
-  for (auto const& name: nodeNames) {
-    const size_t nodeId = index(name);
-    result.push_back({name,
-                      nodeId,
-                      globalRank++,
-                      localRanks[nodeId]++,
-                      (size_t)
-                      std::count(nodeNames.begin(),
-                                 nodeNames.end(),
-                                 name)
-                      });
-  }
-  return result;
-}
-
-ClusterInfo
-getClusterInfo(MPI_Comm comm) {
-  auto const names = getNodeNames(comm);
-  auto const rankInfos = getNodeInfos(names);
-
-  return ClusterInfo {
-    unique(names).size(),
-    names.size(),
-    rankInfos[0].ranksPerNode,
-    rankInfos
-  };
-
-}
-
-
-
-ABCTuples getTuplesList(size_t Nv, size_t rank, size_t np) {
-
-  const size_t
-    // total number of tuples for the problem
-       n = Nv * (Nv + 1) * (Nv + 2) / 6 - Nv
-
-    // all ranks should have the same number of tuples_per_rank
-    , tuples_per_rank = n / np + size_t(n % np != 0)
-
-    // start index for the global tuples list
-    , start = tuples_per_rank * rank
-
-    // end index for the global tuples list
-    , end = tuples_per_rank * (rank + 1)
-    ;
-
-  LOG(1,"Atrip") << "tuples_per_rank = " << tuples_per_rank << "\n";
-  WITH_RANK << "start, end = " << start << ", " << end << "\n";
-  ABCTuples result(tuples_per_rank, FAKE_TUPLE);
-
-  for (size_t a(0), r(0), g(0); a < Nv; a++)
-  for (size_t b(a);             b < Nv; b++)
-  for (size_t c(b);             c < Nv; c++){
-    if ( a == b && b == c ) continue;
-    if ( start <= g && g < end) result[r++] = {a, b, c};
-    g++;
-  }
-
-  return result;
-
-}
-
-
-ABCTuples getAllTuplesList(const size_t Nv) {
-  const size_t n = Nv * (Nv + 1) * (Nv + 2) / 6 - Nv;
-  ABCTuples result(n);
-
-  for (size_t a(0), u(0); a < Nv; a++)
-  for (size_t b(a); b < Nv; b++)
-  for (size_t c(b); c < Nv; c++){
-    if ( a == b && b == c ) continue;
-    result[u++] = {a, b, c};
-  }
-
-  return result;
-}
-
-
-ABCTuples atrip::NaiveDistribution::getTuples(size_t Nv, MPI_Comm universe) {
-  int rank, np;
-  MPI_Comm_rank(universe, &rank);
-  MPI_Comm_size(universe, &np);
-  return getTuplesList(Nv, (size_t)rank, (size_t)np);
-}
-
-
-
-
-namespace group_and_sort {
-
-inline
-size_t isOnNode(size_t tuple, size_t nNodes) { return tuple % nNodes; }
-
-std::vector<size_t> getTupleNodes(ABCTuple const& t, size_t nNodes) {
-  std::vector<size_t>
-    nTuple = { isOnNode(t[0], nNodes)
-             , isOnNode(t[1], nNodes)
-             , isOnNode(t[2], nNodes)
-             };
-  return unique(nTuple);
-}
-
-
-ABCTuples specialDistribution(Info const& info, ABCTuples const& allTuples) {
-
-  ABCTuples nodeTuples;
-  size_t const nNodes(info.nNodes);
-
-  std::vector<ABCTuples>
-      container1d(nNodes)
-    , container2d(nNodes * nNodes)
-    , container3d(nNodes * nNodes * nNodes)
-    ;
-
-  WITH_DBG if (info.nodeId == 0)
-    std::cout << "\tGoing through all "
-              << allTuples.size()
-              << " tuples in "
-              << nNodes
-              << " nodes\n";
-
-  // build container-n-d's
-  for (auto const& t: allTuples) {
-    // one which node(s) are the tuple elements located...
-    // put them into the right container
-    auto const _nodes = getTupleNodes(t, nNodes);
-
-    switch (_nodes.size()) {
-      case 1:
-        container1d[_nodes[0]].push_back(t);
-        break;
-      case 2:
-        container2d[ _nodes[0]
-                   + _nodes[1] * nNodes
-                   ].push_back(t);
-        break;
-      case 3:
-        container3d[ _nodes[0]
-                   + _nodes[1] * nNodes
-                   + _nodes[2] * nNodes * nNodes
-                   ].push_back(t);
-        break;
-    }
-
-  }
-
-  WITH_DBG if (info.nodeId == 0)
-    std::cout << "\tBuilding 1-d containers\n";
-  // DISTRIBUTE 1-d containers
-  // every tuple which is only located at one node belongs to this node
-  {
-    auto const& _tuples = container1d[info.nodeId];
-    nodeTuples.resize(_tuples.size(), INVALID_TUPLE);
-    std::copy(_tuples.begin(), _tuples.end(), nodeTuples.begin());
-  }
-
-  WITH_DBG if (info.nodeId == 0)
-    std::cout << "\tBuilding 2-d containers\n";
-  // DISTRIBUTE 2-d containers
-  //the tuples which are located at two nodes are half/half given to these nodes
-  for (size_t yx = 0; yx < container2d.size(); yx++) {
-
-    auto const& _tuples = container2d[yx];
-      const
-    size_t idx = yx % nNodes
-         // remeber: yx = idy * nNodes + idx
-         , idy = yx / nNodes
-         , n_half = _tuples.size() / 2
-         , size = nodeTuples.size()
-         ;
-
-    size_t nbeg, nend;
-    if (info.nodeId == idx) {
-      nbeg = 0 * n_half;
-      nend = n_half;
-    } else if (info.nodeId == idy) {
-      nbeg = 1 * n_half;
-      nend = _tuples.size();
-    } else {
-      // either idx or idy is my node
-      continue;
-    }
-
-    size_t const nextra = nend - nbeg;
-    nodeTuples.resize(size + nextra, INVALID_TUPLE);
-    std::copy(_tuples.begin() + nbeg,
-              _tuples.begin() + nend,
-              nodeTuples.begin() + size);
-
-  }
-
-  WITH_DBG if (info.nodeId == 0)
-    std::cout << "\tBuilding 3-d containers\n";
-  // DISTRIBUTE 3-d containers
-  for (size_t zyx = 0; zyx < container3d.size(); zyx++) {
-    auto const& _tuples = container3d[zyx];
-
-      const
-    size_t idx = zyx % nNodes
-         , idy = (zyx / nNodes) % nNodes
-         // remember: zyx = idx + idy * nNodes + idz * nNodes^2
-         , idz = zyx / nNodes / nNodes
-         , n_third = _tuples.size() / 3
-         , size = nodeTuples.size()
-         ;
-
-    size_t nbeg, nend;
-    if (info.nodeId == idx) {
-      nbeg = 0 * n_third;
-      nend = 1 * n_third;
-    } else if (info.nodeId == idy) {
-      nbeg = 1 * n_third;
-      nend = 2 * n_third;
-    } else if (info.nodeId == idz) {
-      nbeg = 2 * n_third;
-      nend = _tuples.size();
-    } else {
-      // either idx or idy or idz is my node
-      continue;
-    }
-
-    size_t const nextra = nend - nbeg;
-    nodeTuples.resize(size + nextra, INVALID_TUPLE);
-    std::copy(_tuples.begin() + nbeg,
-              _tuples.begin() + nend,
-              nodeTuples.begin() + size);
-
-  }
-
-
-  WITH_DBG if (info.nodeId == 0) std::cout << "\tswapping tuples...\n";
-  /*
-   *  sort part of group-and-sort algorithm
-   *  every tuple on a given node is sorted in a way that
-   *  the 'home elements' are the fastest index.
-   *  1:yyy 2:yyn(x) 3:yny(x) 4:ynn(x) 5:nyy 6:nyn(x) 7:nny 8:nnn
-   */
-  for (auto &nt: nodeTuples){
-    if ( isOnNode(nt[0], nNodes) == info.nodeId ){ // 1234
-      if ( isOnNode(nt[2], nNodes) != info.nodeId ){ // 24
-        size_t const x(nt[0]);
-        nt[0] = nt[2];         // switch first and last
-        nt[2] = x;
-      }
-      else if ( isOnNode(nt[1], nNodes) != info.nodeId){ // 3
-        size_t const x(nt[0]);
-        nt[0] = nt[1];         // switch first two
-        nt[1] = x;
-      }
-    } else {
-      if ( isOnNode(nt[1], nNodes) == info.nodeId   // 56
-        && isOnNode(nt[2], nNodes) != info.nodeId
-        ) { // 6
-        size_t const x(nt[1]);
-        nt[1] = nt[2];         // switch last two
-        nt[2] = x;
-      }
-    }
-  }
-
-  WITH_DBG if (info.nodeId == 0) std::cout << "\tsorting list of tuples...\n";
-  //now we sort the list of tuples
-  std::sort(nodeTuples.begin(), nodeTuples.end());
-
-  WITH_DBG if (info.nodeId == 0) std::cout << "\trestoring tuples...\n";
-  // we bring the tuples abc back in the order a<b<c
-  for (auto &t: nodeTuples)  std::sort(t.begin(), t.end());
-
-#if ATRIP_DEBUG > 1
-  WITH_DBG if (info.nodeId == 0)
-  std::cout << "checking for validity of " << nodeTuples.size() << std::endl;
-  const bool anyInvalid
-    = std::any_of(nodeTuples.begin(),
-                  nodeTuples.end(),
-                  [](ABCTuple const& t) { return t == INVALID_TUPLE; });
-  if (anyInvalid) throw "Some tuple is invalid in group-and-sort algorithm";
-#endif
-
-  WITH_DBG if (info.nodeId == 0) std::cout << "\treturning tuples...\n";
-  return nodeTuples;
-
-}
-
-
-  std::vector<ABCTuple> main(MPI_Comm universe, size_t Nv) {
-
-    int rank, np;
-    MPI_Comm_rank(universe, &rank);
-    MPI_Comm_size(universe, &np);
-
-    std::vector<ABCTuple> result;
-
-    auto const nodeNames(getNodeNames(universe));
-    size_t const nNodes = unique(nodeNames).size();
-    auto const nodeInfos = getNodeInfos(nodeNames);
-
-    // We want to construct a communicator which only contains of one
-    // element per node
-    bool const computeDistribution
-      = nodeInfos[rank].localRank == 0;
-
-    std::vector<ABCTuple>
-      nodeTuples
-      = computeDistribution
-      ? specialDistribution(Info{nNodes, nodeInfos[rank].nodeId},
-                            getAllTuplesList(Nv))
-      : std::vector<ABCTuple>()
-      ;
-
-    LOG(1,"Atrip") << "got nodeTuples\n";
-
-    // now we have to send the data from **one** rank on each node
-    // to all others ranks of this node
-    const
-      int color = nodeInfos[rank].nodeId,
-      key = nodeInfos[rank].localRank
-      ;
-
-
-    MPI_Comm INTRA_COMM;
-    MPI_Comm_split(universe, color, key, &INTRA_COMM);
-    // Main:1 ends here
-
-    // [[file:~/cuda/atrip/atrip.org::*Main][Main:2]]
-    size_t const
-      tuplesPerRankLocal
-      = nodeTuples.size() / nodeInfos[rank].ranksPerNode
-      + size_t(nodeTuples.size() % nodeInfos[rank].ranksPerNode != 0)
-      ;
-
-    size_t tuplesPerRankGlobal;
-
-    MPI_Reduce(&tuplesPerRankLocal,
-               &tuplesPerRankGlobal,
-               1,
-               MPI_UINT64_T,
-               MPI_MAX,
-               0,
-               universe);
-
-    MPI_Bcast(&tuplesPerRankGlobal,
-              1,
-              MPI_UINT64_T,
-              0,
-              universe);
-
-    LOG(1,"Atrip") << "Tuples per rank: " << tuplesPerRankGlobal << "\n";
-    LOG(1,"Atrip") << "ranks per node " << nodeInfos[rank].ranksPerNode << "\n";
-    LOG(1,"Atrip") << "#nodes " << nNodes << "\n";
-    // Main:2 ends here
-
-    // [[file:~/cuda/atrip/atrip.org::*Main][Main:3]]
-    size_t const totalTuples
-      = tuplesPerRankGlobal * nodeInfos[rank].ranksPerNode;
-
-    if (computeDistribution) {
-      // pad with FAKE_TUPLEs
-      nodeTuples.insert(nodeTuples.end(),
-                        totalTuples - nodeTuples.size(),
-                        FAKE_TUPLE);
-    }
-    // Main:3 ends here
-
-    // [[file:~/cuda/atrip/atrip.org::*Main][Main:4]]
-    {
-      // construct mpi type for abctuple
-      MPI_Datatype MPI_ABCTUPLE;
-      MPI_Type_vector(nodeTuples[0].size(), 1, 1, MPI_UINT64_T, &MPI_ABCTUPLE);
-      MPI_Type_commit(&MPI_ABCTUPLE);
-
-      LOG(1,"Atrip") << "scattering tuples \n";
-
-      result.resize(tuplesPerRankGlobal);
-      MPI_Scatter(nodeTuples.data(),
-                  tuplesPerRankGlobal,
-                  MPI_ABCTUPLE,
-                  result.data(),
-                  tuplesPerRankGlobal,
-                  MPI_ABCTUPLE,
-                  0,
-                  INTRA_COMM);
-
-      MPI_Type_free(&MPI_ABCTUPLE);
-
-    }
-
-    return result;
-
-  }
-
-
-ABCTuples Distribution::getTuples(size_t Nv, MPI_Comm universe) {
-  return main(universe, Nv);
-}
-
-
-}  // namespace group_and_sort
-}  // namespace atrip