Merge branch 'new-intel' into 'development'

support for LLVM-based Intel compilers See merge request damask/DAMASK!489
2021-12-26 16:56:24 +00:00 · 2021-12-26 16:56:24 +00:00 · 01cd92755d
parent c080c2d2fd 4168b101f4
commit 01cd92755d
4 changed files with 154 additions and 20 deletions
--- a/.gitlab-ci.yml
+++ b/.gitlab-ci.yml
@ -36,14 +36,17 @@ variables:
  # Names of module files to load
  # ===============================================================================================
  # ++++++++++++ Compiler +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  COMPILER_INTEL: "Compiler/Intel/19.1.2 Libraries/IMKL/2020"
-  COMPILER_GNU:   "Compiler/GNU/10"
+  COMPILER_GNU:       "Compiler/GNU/10"
+  COMPILER_INTELLLVM: "Compiler/oneAPI/2022.0.1 Libraries/IMKL/2022.0.1"
+  COMPILER_INTEL: "Compiler/Intel/2022.0.1 Libraries/IMKL/2022.0.1"
  # ++++++++++++ MPI ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  MPI_INTEL:      "MPI/Intel/19.1.2/IntelMPI/2019"
  MPI_GNU:        "MPI/GNU/10/OpenMPI/4.1.1"
+  MPI_INTELLLVM:  "MPI/oneAPI/2022.0.1/IntelMPI/2021.5.0"
+  MPI_INTEL:      "MPI/Intel/2022.0.1/IntelMPI/2021.5.0"
  # ++++++++++++ PETSc ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  PETSC_INTEL:    "Libraries/PETSc/3.16.1/Intel-19.1.2-IntelMPI-2019"
-  PETSC_GNU:      "Libraries/PETSc/3.16.1/GNU-10-OpenMPI-4.1.1"
+  PETSC_GNU:       "Libraries/PETSc/3.16.1/GNU-10-OpenMPI-4.1.1"
+  PETSC_INTELLLVM: "Libraries/PETSc/3.16.2/oneAPI-2022.0.1-IntelMPI-2021.5.0"
+  PETSC_INTEL:    "Libraries/PETSc/3.16.2/Intel-2022.0.1-IntelMPI-2021.5.0"
  # ++++++++++++ MSC Marc +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
  MSC:            "FEM/MSC/2021.3.1"
  IntelMarc:      "Compiler/Intel/19.1.2 Libraries/IMKL/2020"
@ -76,20 +79,6 @@ mypy:


 ###################################################################################################
-test_grid_Intel:
-  stage: compile
-  script:
-    - module load ${COMPILER_INTEL} ${MPI_INTEL} ${PETSC_INTEL}
-    - cd PRIVATE/testing/pytest
-    - pytest -k 'compile and grid' --basetemp ${TESTROOT}/compile_grid_Intel
-
-test_mesh_Intel:
-  stage: compile
-  script:
-    - module load ${COMPILER_INTEL} ${MPI_INTEL} ${PETSC_INTEL}
-    - cd PRIVATE/testing/pytest
-    - pytest -k 'compile and mesh' --basetemp ${TESTROOT}/compile_mesh_Intel
-
 test_grid_GNU:
  stage: compile
  script:
@ -104,6 +93,27 @@ test_mesh_GNU:
    - cd PRIVATE/testing/pytest
    - pytest -k 'compile and mesh' --basetemp ${TESTROOT}/compile_mesh_GNU

+test_mesh_IntelLLVM:
+  stage: compile
+  script:
+    - module load ${COMPILER_INTELLLVM} ${MPI_INTELLLVM} ${PETSC_INTELLLVM}
+    - cd PRIVATE/testing/pytest
+    - pytest -k 'compile and mesh' --basetemp ${TESTROOT}/compile_mesh_IntelLLVM
+
+test_grid_Intel:
+  stage: compile
+  script:
+    - module load ${COMPILER_INTEL} ${MPI_INTEL} ${PETSC_INTEL}
+    - cd PRIVATE/testing/pytest
+    - pytest -k 'compile and grid' --basetemp ${TESTROOT}/compile_grid_Intel
+
+test_mesh_Intel:
+  stage: compile
+  script:
+    - module load ${COMPILER_INTEL} ${MPI_INTEL} ${PETSC_INTEL}
+    - cd PRIVATE/testing/pytest
+    - pytest -k 'compile and mesh' --basetemp ${TESTROOT}/compile_mesh_Intel
+
 test_Marc:
  stage: compile
  script:
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@ -82,6 +82,8 @@ if   (CMAKE_Fortran_COMPILER_ID STREQUAL "Intel")
    include(Compiler-Intel)
 elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
    include(Compiler-GNU)
+elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "IntelLLVM")
+    include(Compiler-IntelLLVM)
 else()
    message(FATAL_ERROR "Compiler type(CMAKE_Fortran_COMPILER_ID) not recognized")
 endif()
--- a/cmake/Compiler-Intel.cmake
+++ b/cmake/Compiler-Intel.cmake
@ -106,8 +106,9 @@ set (DEBUG_FLAGS "${DEBUG_FLAGS} -fpe-all=0")
 #set (DEBUG_FLAGS "${DEBUG_FLAGS},stderrors")
 #   ... warnings about Fortran standard violations are changed to errors

-set (DEBUG_FLAGS "${DEBUG_FLAGS} -debug-parameters all")
+#set (DEBUG_FLAGS "${DEBUG_FLAGS} -debug-parameters all")
 # generate debug information for parameters
+# Disabled due to ICE when compiling phase_damage.f90 (not understandable, there is no parameter in there)

 # Additional options
 # -heap-arrays:            Should not be done for OpenMP, but set "ulimit -s unlimited" on shell. Probably it helps also to unlimit other limits
--- a/cmake/Compiler-IntelLLVM.cmake
+++ b/cmake/Compiler-IntelLLVM.cmake
@ -0,0 +1,121 @@
+###################################################################################################
+# Intel Compiler
+###################################################################################################
+if (CMAKE_Fortran_COMPILER_VERSION VERSION_LESS 18.0)
+  message (FATAL_ERROR "Intel Compiler version: ${CMAKE_Fortran_COMPILER_VERSION} not supported")
+endif ()
+
+if (OPENMP)
+  set (OPENMP_FLAGS "-qopenmp")
+endif ()
+
+if (OPTIMIZATION STREQUAL "OFF")
+  set (OPTIMIZATION_FLAGS    "-O0")
+elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
+  set (OPTIMIZATION_FLAGS    "-O2")
+elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
+  set (OPTIMIZATION_FLAGS    "-ipo -O3 -fp-model fast=2 -xHost")
+  # -fast = -ipo, -O3, -no-prec-div, -static, -fp-model fast=2, and -xHost"
+endif ()
+
+# -assume std_mod_proc_name (included in -standard-semantics) causes problems if other modules
+# (PETSc, HDF5) are not compiled with this option (https://software.intel.com/en-us/forums/intel-fortran-compiler-for-linux-and-mac-os-x/topic/62172)
+set (STANDARD_CHECK "-stand f18 -assume nostd_mod_proc_name")
+set (LINKER_FLAGS   "${LINKER_FLAGS} -shared-intel")
+# Link against shared Intel libraries instead of static ones
+
+#------------------------------------------------------------------------------------------------
+# Fine tuning compilation options
+set (COMPILE_FLAGS "${COMPILE_FLAGS} -fpp")
+# preprocessor
+
+set (COMPILE_FLAGS "${COMPILE_FLAGS} -ftz")
+# flush underflow to zero, automatically set if -O[1,2,3]
+
+set (COMPILE_FLAGS "${COMPILE_FLAGS} -diag-disable")
+# disables warnings ...
+set (COMPILE_FLAGS "${COMPILE_FLAGS} 5268")
+#   ... the text exceeds right hand column allowed on the line (we have only comments there)
+set (COMPILE_FLAGS "${COMPILE_FLAGS},7624")
+#   ... about deprecated forall (has nice syntax and most likely a performance advantage)
+
+set (COMPILE_FLAGS "${COMPILE_FLAGS} -warn")
+# enables warnings ...
+set (COMPILE_FLAGS "${COMPILE_FLAGS} declarations")
+#   ... any undeclared names (alternative name: -implicitnone)
+set (COMPILE_FLAGS "${COMPILE_FLAGS},general")
+#   ... warning messages and informational messages are issued by the compiler
+set (COMPILE_FLAGS "${COMPILE_FLAGS},usage")
+#   ... questionable programming practices
+set (COMPILE_FLAGS "${COMPILE_FLAGS},interfaces")
+#   ... checks the interfaces of all SUBROUTINEs called and FUNCTIONs invoked in your compilation against an external set of interface blocks
+set (COMPILE_FLAGS "${COMPILE_FLAGS},ignore_loc")
+#   ... %LOC is stripped from an actual argument
+set (COMPILE_FLAGS "${COMPILE_FLAGS},alignments")
+#   ... data that is not naturally aligned
+set (COMPILE_FLAGS "${COMPILE_FLAGS},unused")
+#   ... declared variables that are never used
+
+# Additional options
+#  -warn:                    enables warnings, where
+#     truncated_source:        Determines whether warnings occur when source exceeds the maximum column width in fixed-format files.
+#                               (too many warnings because we have comments beyond character 132)
+#     uncalled:                Determines whether warnings occur when a statement function is never called
+#     all:
+#  -name as_is: case sensitive Fortran!
+
+#------------------------------------------------------------------------------------------------
+# Runtime debugging
+set (DEBUG_FLAGS "${DEBUG_FLAGS} -g")
+# Generate symbolic debugging information in the object file
+
+set (DEBUG_FLAGS "${DEBUG_FLAGS} -traceback")
+# Generate extra information in the object file to provide source file traceback information when a severe error occurs at run time
+
+set (DEBUG_FLAGS "${DEBUG_FLAGS} -gen-interfaces")
+# Generate an interface block for each routine. http://software.intel.com/en-us/blogs/2012/01/05/doctor-fortran-gets-explicit-again/
+
+set (DEBUG_FLAGS "${DEBUG_FLAGS} -fp-stack-check")
+# Generate extra code after every function call to ensure that the floating-point (FP) stack is in the expected state
+
+set (DEBUG_FLAGS "${DEBUG_FLAGS} -fp-model strict")
+# Trap uninitalized variables
+
+set (DEBUG_FLAGS "${DEBUG_FLAGS} -check" )
+# Checks at runtime ...
+set (DEBUG_FLAGS "${DEBUG_FLAGS} bounds")
+#   ... if an array index is too small (<1) or too large!
+set (DEBUG_FLAGS "${DEBUG_FLAGS},format")
+#   ... for the data type of an item being formatted for output.
+set (DEBUG_FLAGS "${DEBUG_FLAGS},output_conversion")
+#   ... for the fit of data items within a designated format descriptor field.
+set (DEBUG_FLAGS "${DEBUG_FLAGS},pointers")
+#   ... for certain disassociated or uninitialized pointers or unallocated allocatable objects.
+set (DEBUG_FLAGS "${DEBUG_FLAGS},uninit")
+#   ... for uninitialized variables.
+set (DEBUG_FLAGS "${DEBUG_FLAGS} -ftrapuv")
+#   ... initializes stack local variables to an unusual value to aid error detection
+set (DEBUG_FLAGS "${DEBUG_FLAGS} -fpe-all=0")
+#   ... capture all floating-point exceptions, sets -ftz automatically
+
+# disable due to compiler bug https://community.intel.com/t5/Intel-Fortran-Compiler/false-positive-stand-f18-and-IEEE-SELECTED-REAL-KIND/m-p/1227336
+#set (DEBUG_FLAGS "${DEBUG_FLAGS} -warn")
+# enables warnings ...
+#set (DEBUG_FLAGS "${DEBUG_FLAGS} errors")
+#   ... warnings are changed to errors
+#set (DEBUG_FLAGS "${DEBUG_FLAGS},stderrors")
+#   ... warnings about Fortran standard violations are changed to errors
+
+set (DEBUG_FLAGS "${DEBUG_FLAGS} -debug-parameters all")
+# generate debug information for parameters
+
+# Additional options
+# -heap-arrays:            Should not be done for OpenMP, but set "ulimit -s unlimited" on shell. Probably it helps also to unlimit other limits
+# -check:                  Checks at runtime, where
+#    arg_temp_created:       will cause a lot of warnings because we create a bunch of temporary arrays (performance?)
+#    stack:
+
+#------------------------------------------------------------------------------------------------
+#  precision settings
+set (PRECISION_FLAGS "${PRECISION_FLAGS} -real-size 64")
+# set precision for standard real to 32 | 64 | 128 (= 4 | 8 | 16 bytes, type pReal is always 8 bytes)