Merge pull request #429 from ValeevGroup/428-discrepency-between-lib-…

…and-lib64-install-paths

[cmake] bump VG kit, BTAS, and MADNESS tags

CMakeLists.txt

@@ -309,10 +309,10 @@ endif()
 if(ENABLE_HIP)
   include(external/hip.cmake)
 endif()
+include(${PROJECT_SOURCE_DIR}/cmake/modules/FindOrFetchMADWorld.cmake)
 if (TA_TTG)
   include(${PROJECT_SOURCE_DIR}/cmake/modules/FindOrFetchTTG.cmake)
 endif(TA_TTG)
-include(${PROJECT_SOURCE_DIR}/cmake/modules/FindOrFetchMADWorld.cmake)
 detect_MADNESS_configuration()
 include(external/eigen.cmake)
 # the FetchContent-based version will not work due to BLT target name conflicts

INSTALL.md

@@ -40,9 +40,9 @@ Both methods are supported. However, for most users we _strongly_ recommend to b
   - Boost.Container: header-only
   - Boost.Test: header-only or (optionally) as a compiled library, *only used for unit testing*
   - Boost.Range: header-only, *only used for unit testing*
-- [BTAS](http://github.com/ValeevGroup/BTAS), tag 3c91f086090390930bba62c6512c4e74a5520e76 . If usable BTAS installation is not found, TiledArray will download and compile
+- [BTAS](http://github.com/ValeevGroup/BTAS), tag bf0c376d5cdd6f668174b2a4c67b19634d1c0da7 . If usable BTAS installation is not found, TiledArray will download and compile
   BTAS from source. *This is the recommended way to compile BTAS for all users*.
-- [MADNESS](https://github.com/m-a-d-n-e-s-s/madness), tag 1f307ebbe6604539493e165a7a2b00b366711fd8 .
+- [MADNESS](https://github.com/m-a-d-n-e-s-s/madness), tag 03c82cf2780d9e96298cc9140ac128c73eacd3b1 .
   Only the MADworld runtime and BLAS/LAPACK C API component of MADNESS is used by TiledArray.
   If usable MADNESS installation is not found, TiledArray will download and compile
   MADNESS from source. *This is the recommended way to compile MADNESS for all users*.
@@ -75,7 +75,7 @@ Optional prerequisites:
     - [blacspp](https://github.com/wavefunction91/blacspp.git) -- a modern C++ (C++17) wrapper for BLACS
 - Python3 interpreter -- to test (optionally-built) Python bindings
 - [Range-V3](https://github.com/ericniebler/range-v3.git) -- a Ranges library that served as the basis for Ranges component of C++20; only used for some unit testing of the functionality anticipated to be supported by future C++ standards.
-- [TTG](https://github.com/TESSEorg/ttg.git) -- C++ implementation of the Template Task Graph programming model for fine-grained flow-graph composition of distributed memory programs.
+- [TTG](https://github.com/TESSEorg/ttg.git) -- C++ implementation of the Template Task Graph programming model for fine-grained flow-graph composition of distributed memory programs (tag 3fe4a06dbf4b05091269488aab38223da1f8cb8e).
 
 Many of these dependencies can be installed with a package manager,
 such as Homebrew on OS X or apt-get on Debian Linux distributions;

bin/admin/dependency-versions-update-hook.py

@@ -126,6 +126,11 @@ def replace_dep_id(topsrc, file_ext, dep_name, old_id, new_id, search_prefix = '
                 scalapackpp_old_tag = tokens[2]
             else:
                 scalapackpp_new_tag = tokens[2]
+        elif tokens[1].find('TTG') != -1:
+            if tokens[1].find('PREVIOUS') != -1:
+                ttg_old_tag = tokens[2]
+            else:
+                ttg_new_tag = tokens[2]
 
 any_files_changed = False
 
@@ -155,6 +160,9 @@ def replace_dep_id(topsrc, file_ext, dep_name, old_id, new_id, search_prefix = '
 # SCALAPACKPP tag in INSTALL.md
 any_files_changed |= replace_dep_id(topsrc, 'md', 'SCALAPACKPP', scalapackpp_old_tag, scalapackpp_new_tag, '', '')
 
+# TTG tag in INSTALL.md
+any_files_changed |= replace_dep_id(topsrc, 'md', 'TTG', ttg_old_tag, ttg_new_tag, '', '')
+
 if any_files_changed:
     sys.exit(1)
 else:

cmake/modules/FindOrFetchMADWorld.cmake

@@ -12,7 +12,15 @@ if (NOT TARGET MADworld)
 
   # TA-specific configuration
   set(MADNESS_BUILD_MADWORLD_ONLY ON CACHE BOOL "Whether to build MADNESS runtime only")
-  set(ENABLE_PARSEC OFF CACHE BOOL "Whether to use PaRSEC as the task backend of MADWorld")
+  if (TA_TTG)
+    if (NOT DEFINED MADNESS_TASK_BACKEND)
+      set(MADNESS_TASK_BACKEND PaRSEC CACHE STRING "The task backend to use for MADNESS tasks")
+    else ()
+      if (NOT(${MADNESS_TASK_BACKEND} STREQUAL PaRSEC))
+        message(FATAL_ERROR "must set MADNESS_TASK_BACKEND=PaRSEC if configuring with TA_TTG=ON")
+      endif()
+    endif()
+  endif()
   set(MPI_THREAD "multiple" CACHE INTERNAL "MADNESS requires MPI_THREAD_MULTIPLE")
   set(MADNESS_ASSUMES_ASLR_DISABLED ${TA_ASSUMES_ASLR_DISABLED} CACHE BOOL "Whether MADNESS assumes ASLR to be disabled")
   set(MPI_CXX_SKIP_MPICXX ON CACHE BOOL "Whether to disable search for C++ MPI-2 bindings")

external/versions.cmake

@@ -1,7 +1,7 @@
 # for each dependency track both current and previous id (the variable for the latter must contain PREVIOUS)
 # to be able to auto-update them
 
-set(TA_TRACKED_VGCMAKEKIT_TAG e68b3b4e8a57a175bb9d1b4e4cfa7d31b9363de5)
+set(TA_TRACKED_VGCMAKEKIT_TAG d6746098e63deab4032309c4455bb084a17ff51a)
 
 # Boost explicitly downgraded to 1.59 from 1.68
 set(TA_TRACKED_BOOST_VERSION 1.59)
@@ -19,13 +19,13 @@ set(TA_INSTALL_EIGEN_PREVIOUS_VERSION 3.3.7)
 set(TA_INSTALL_EIGEN_URL_HASH SHA256=b4c198460eba6f28d34894e3a5710998818515104d6e74e5cc331ce31e46e626)
 set(TA_INSTALL_EIGEN_PREVIOUS_URL_HASH MD5=b9e98a200d2455f06db9c661c5610496)
 
-set(TA_TRACKED_MADNESS_TAG 1f307ebbe6604539493e165a7a2b00b366711fd8)
-set(TA_TRACKED_MADNESS_PREVIOUS_TAG 3d585293f0094588778dbd3bec24b65e7bbe6a5d)
+set(TA_TRACKED_MADNESS_TAG 03c82cf2780d9e96298cc9140ac128c73eacd3b1)
+set(TA_TRACKED_MADNESS_PREVIOUS_TAG 4f7d30b0a738621037b96bb5b820029835753667)
 set(TA_TRACKED_MADNESS_VERSION 0.10.1)
 set(TA_TRACKED_MADNESS_PREVIOUS_VERSION 0.10.1)
 
-set(TA_TRACKED_BTAS_TAG 3c91f086090390930bba62c6512c4e74a5520e76)
-set(TA_TRACKED_BTAS_PREVIOUS_TAG 5a45699b78d0540b490c8c769b61033bd4d4f49c)
+set(TA_TRACKED_BTAS_TAG bf0c376d5cdd6f668174b2a4c67b19634d1c0da7)
+set(TA_TRACKED_BTAS_PREVIOUS_TAG 3c91f086090390930bba62c6512c4e74a5520e76)
 
 set(TA_TRACKED_LIBRETT_TAG 6eed30d4dd2a5aa58840fe895dcffd80be7fbece)
 set(TA_TRACKED_LIBRETT_PREVIOUS_TAG 354e0ccee54aeb2f191c3ce2c617ebf437e49d83)
@@ -40,5 +40,5 @@ set(TA_TRACKED_RANGEV3_TAG 2e0591c57fce2aca6073ad6e4fdc50d841827864)
 set(TA_TRACKED_RANGEV3_PREVIOUS_TAG dbdaa247a25a0daa24c68f1286a5693c72ea0006)
 
 set(TA_TRACKED_TTG_URL https://github.com/TESSEorg/ttg)
-set(TA_TRACKED_TTG_TAG 0adff52aa1ebdad013ab3843a7a68c2bb06b60a8)
-set(TA_TRACKED_TTG_PREVIOUS_TAG a9a1a55b45f7503da39d8466a1a421155ac5ca2a)
+set(TA_TRACKED_TTG_TAG 3fe4a06dbf4b05091269488aab38223da1f8cb8e)
+set(TA_TRACKED_TTG_PREVIOUS_TAG 26da9b40872660b864794658d4fdeee1a95cb4d6)

src/TiledArray/math/linalg/ttg/cholesky.h

@@ -86,7 +86,7 @@ auto cholesky(const Array& A, TiledRange l_trange = {},
   [[maybe_unused]] auto connected = make_graph_executable(potrf_ttg.get());
 
   // uncomment to trace
-  ::ttg::trace_on();
+  //::ttg::trace_on();
 
   // start
   ::ttg::execute();
@@ -175,7 +175,7 @@ auto cholesky_linv(const Array& A, TiledRange l_trange = {},
   [[maybe_unused]] auto connected = make_graph_executable(trtri_ttg.get());
 
   // uncomment to trace
-  ::ttg::trace_on();
+  //::ttg::trace_on();
 
   // start
   ::ttg::execute();

src/TiledArray/tiledarray.cpp

@@ -106,8 +106,16 @@ TiledArray::World& TiledArray::initialize(int& argc, char**& argv,
     initialized_accessor() = true;
     quiet_accessor() = quiet;
 
-    // if have TTG initialize it also
+    // if have TTG, initialize it also
 #if TILEDARRAY_HAS_TTG
+    // MADNESS/PaRSEC creates PaRSEC context that uses MPI_COMM_SELF to avoid
+    // creation of a PaRSEC comm thread to be able to use TTG/PaRSEC need to
+    // tell PaRSEC context to use the full communicator
+    if (madness::ParsecRuntime::context()->nb_nodes != default_world.size()) {
+      auto default_world_comm = default_world.mpi.comm().Get_mpi_comm();
+      parsec_remote_dep_set_ctx(madness::ParsecRuntime::context(),
+                                (intptr_t)default_world_comm);
+    }
     ttg::initialize(argc, argv, -1, madness::ParsecRuntime::context());
 #endif