Merge pull request #302 from LLNL/feature/ASPHv2

New ASPH H update algorithm

Author: jmikeowen

.gitlab/os.yml

@@ -7,14 +7,6 @@
     UPSTREAM_DIR: /usr/WS2/sduser/Spheral/spack_upstream/0.22
     DISPLAY: ':0.0'
 
-.on_toss_3_x86:
-  variables:
-    ARCH: 'toss_3_x86_64_ib'
-    GCC_VERSION: '8.3.1'
-    CLANG_VERSION: '9.0.0'
-    SPHERAL_BUILDS_DIR: /p/lustre1/sphapp/spheral-ci-builds
-  extends: [.sys_config]
-
 .on_toss_4_x86:
   variables:
     ARCH: 'toss_4_x86_64_ib'

.gitlab/specs.yml

@@ -4,7 +4,7 @@
 .gcc_mvapich2_cxxonly:
   variables:
     SPEC: 'gcc@$GCC_VERSION^mvapich2'
-    EXTRA_CMAKE_ARGS: '-DENABLE_CXXONLY=On'
+    EXTRA_CMAKE_ARGS: '-DENABLE_CXXONLY=On -DENABLE_WARNINGS_AS_ERRORS=On'
 
 .gcc_mvapich2:
   variables:
@@ -24,11 +24,11 @@
 .gcc_spectrum:
   variables:
     SPEC: 'gcc@$GCC_VERSION^spectrum-mpi'
-    EXTRA_CMAKE_ARGS: '-DENABLE_DEV_BUILD=On'
 
 .clang_mvapich2:
   variables:
     SPEC: 'clang@$CLANG_VERSION^mvapich2'
+    EXTRA_CMAKE_ARGS: '-DENABLE_WARNINGS_AS_ERRORS=On -DENABLE_DEV_BUILD=On'
 
 .cuda_11_gcc_~mpi:
   variables:

Dockerfile

@@ -2,7 +2,7 @@
 #   sudo env DOCKERBUILDKIT=1 docker build . --target spheral-build-env-local --tag spheral-build-env (--progress=plain)
 #   Optional Arguments:
 #     --progress=plain        : Prints plain output to terminal instead of windowed version.
-#     --build-args SPEC=...   : Specify optional build argument to override. Defualt = gcc
+#     --build-args SPEC=...   : Specify optional build argument to override. Default = gcc
 #                               e.g. --build-args SPEC=clang 
 
 # To build and run a spheral test:

RELEASE_NOTES.md

@@ -18,6 +18,16 @@ Notable changes include:
     * Caliper updated v2.11.
     * Adiak added as TPL.
     * Created singleton wrapper for cali::ConfigManger and python wrapped Caliper timer and Adiak routines.
+    * New ASPH idealH algorithm implemented, which is much more robust and accurate as H elongations become extreme.
+    * New experimental hourglass control algorithm implemented, along with some basic tests/demonstrations.
+    * H update algorithms converted to their own independent physics packages, no longer part of the various hydro packages.
+    * Physics interface updated slightly:
+      * Physics::postStateUpdate now returns a bool indicating if boundary conditions should be enforced again.
+      * Physics packages can now have Physics sub-packages, which can be run before or after the main package.  The SpheralController
+        now checks for these packages and adds them to the physics package list as needed.
+      * Physics packages can indicate if they require Voronoi cell information be available.  If so, a new package which computes and
+        updates the Voronoi information is automatically added to the package list by the SpheralController (similar to how the
+        Reproducing Kernel corrections are handled).
 
   * Build changes / improvements:
     * Distributed source directory must always be built now.
@@ -28,10 +38,16 @@ Notable changes include:
     * The SVPH package is now optional (SPHERAL\_ENABLE\_SVPH).
     * Cleaner Spheral Spack package.
     * ENABLE\_DEV\_BUILD can now export targets properly.
+    * Added a GCC flag to prevent building variable tracking symbols when building PYB11 modules.  This is unnecessary, and
+      on some platforms trying to build such symbols is very expensive and in some cases fails.
 
   * Bug Fixes / improvements:
     * Wrappers for MPI calls are simplified and improved.
     * Time step estimate due to velocity divergence in RZ space has been fixed.
+    * Fixed tolerances for ANEOS equation of state temperature lookup
+    * Clang C++ warnings have eliminated, so the Clang CI tests have been updated to treat warnings as errors.
+    * Fix for installing libraries when building individual package WITH ENABLE_DEV_BUILD=On.
+    * Bugfix for RZ solid CRKSPH with compatible energy.
 
 Version v2024.06.1 -- Release date 2024-07-09
 ==============================================

cmake/Compilers.cmake

@@ -14,7 +14,7 @@ option(ENABLE_MISSING_INCLUDE_DIR_WARNINGS "show unused parameter warnings" ON)
 set(CXX_WARNING_FLAGS "")
 if (ENABLE_WARNINGS)
   if("${CMAKE_CXX_COMPILER_ID}" STREQUAL "Clang")
-    list(APPEND CXX_WARNING_FLAGS -Wno-unused-command-line-argument -Wno-c++17-extensions)
+    list(APPEND CXX_WARNING_FLAGS -fdiagnostics-show-option -Wno-unused-command-line-argument -Wno-c++17-extensions)
   endif()
 else()
   set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -w")
@@ -59,7 +59,6 @@ message("-- using warning flags ${CXX_WARNING_FLAGS}")
 set(CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -Wno-missing-include-dirs")
 message("-- Fortran flags: ${CMAKE_Fortran_FLAGS}")
 
-
 #-------------------------------------------------------------------------------
 # PYB11 Target Flags
 #-------------------------------------------------------------------------------
@@ -75,7 +74,8 @@ if ("${CMAKE_CXX_COMPILER_ID}" STREQUAL "Clang")
     -Wno-delete-abstract-non-virtual-dtor)
 elseif ("${CMAKE_CXX_COMPILER_ID}" STREQUAL "GNU")
   list(APPEND SPHERAL_PYB11_TARGET_FLAGS
-    -Wno-pedantic)
+    -Wno-pedantic
+    -fno-var-tracking-assignments)
 endif()
 
 #-------------------------------------------------------------------------------
@@ -85,3 +85,21 @@ if(${CMAKE_CXX_COMPILER_ID} STREQUAL "Intel")
   set(CMAKE_CXX_FLAGS -wd11074,11076,654)
   set(SPHERAL_PYB11_TARGET_FLAGS )
 endif()
+
+#-------------------------------------------------------------------------------
+# BlueOS specific flags
+#-------------------------------------------------------------------------------
+if (DEFINED ENV{SYS_TYPE})
+  if ("$ENV{SYS_TYPE}" STREQUAL "blueos_3_ppc64le_ib_p9")
+    if (CMAKE_BUILD_TYPE STREQUAL "Debug")
+      set(CXX_BLUEOS_FLAGS "-Os")    # Needed to prevent relocation overflow errors during link
+      add_compile_options("$<$<COMPILE_LANGUAGE:CXX>:${CXX_BLUEOS_FLAGS}>")
+      message("-- Adding ${CXX_BLUEOS_FLAGS} to C++ compile flags")
+    endif()
+  endif()
+endif()
+#set(CXX_STRIP_FLAGS "-fdata-sections;-ffunction-sections")
+#set(CXX_LINK_STRIP_FLAGS "-Wl,--gc-sections")
+#set(CXX_LINK_STRIP_FLAGS "-Wl,-z combreloc")
+#add_link_options("${CXX_LINK_STRIP_FLAGS}")
+

scripts/devtools/spec-list.json

@@ -6,12 +6,6 @@
         "[email protected]"
       ]
     ,
-    "toss_3_x86_64_ib": [
-        "[email protected]",
-        "[email protected]~mpi",
-        "[email protected]"
-      ]
-    ,
     "blueos_3_ppc64le_ib_p9": [
         "[email protected]",
         "[email protected]+cuda~mpi cuda_arch=70",

scripts/spack/configs/blueos_3_ppc64le_ib/packages.yaml

@@ -37,7 +37,6 @@ packages:
     - 11.1.0
     - 11.0.2
     - 10.1.243
-    - 10.1.168
     buildable: false
     externals:
     - spec: [email protected]~allow-unsupported-compilers
@@ -46,8 +45,6 @@ packages:
       prefix: /usr/tce/packages/cuda/cuda-11.0.2
     - spec: [email protected]~allow-unsupported-compilers
       prefix: /usr/tce/packages/cuda/cuda-10.1.243
-    - spec: [email protected]+allow-unsupported-compilers
-      prefix: /usr/tce/packages/cuda/cuda-10.1.168
 
   spectrum-mpi:
     externals:
@@ -59,6 +56,8 @@ packages:
       prefix: /usr/tce/packages/spectrum-mpi/spectrum-mpi-rolling-release-gcc-8.3.1
     - spec: [email protected]%[email protected]
       prefix: /usr/tce/packages/spectrum-mpi/spectrum-mpi-rolling-release-gcc-4.9.3
+    - spec: [email protected]%[email protected]
+      prefix: /usr/tce/packages/spectrum-mpi/spectrum-mpi-rolling-release-gcc-10.2.1
     - spec: [email protected]%[email protected]
       prefix: /usr/tce/packages/spectrum-mpi/spectrum-mpi-rolling-release-clang-9.0.0
     - spec: [email protected]%[email protected]

scripts/spack/configs/toss_3_x86_64_ib/compilers.yaml

@@ -284,7 +284,7 @@ restoreState(const FileIO& file, const string& pathName)  {
   vector<std::string> keys;
   file.read(keys, pathName + "/keys");
   mBufferedValues.clear();
-  for (const auto key: keys) {
+  for (const auto& key: keys) {
     std::string val;
     file.read(val, pathName + "/BufferedValues/" + key);
     mBufferedValues[key] = vector<char>(val.begin(), val.end());