Drop support for NDEBUG

CMakeLists.txt

@@ -58,6 +58,12 @@ endif()
 set(CMAKE_CXX_STANDARD 14)
 set(CMAKE_C_STANDARD 11)
 
+# remove NDEBUG flag
+string(REPLACE "-DNDEBUG" "" CMAKE_C_FLAGS_RELEASE ${CMAKE_C_FLAGS_RELEASE})
+string(REPLACE "-DNDEBUG" "" CMAKE_CXX_FLAGS_RELEASE ${CMAKE_CXX_FLAGS_RELEASE})
+string(REPLACE "-DNDEBUG" "" CMAKE_Fortran_FLAGS_RELEASE
+               ${CMAKE_Fortran_FLAGS_RELEASE})
+
 find_package(PkgConfig)
 
 # ##############################################################################
@@ -549,11 +555,11 @@ elseif(CP2K_USE_ACCEL MATCHES "HIP")
 
   set(CMAKE_HIP_ARCHITECTURES gfx801 gfx900 gfx90a)
   if(NOT CMAKE_BUILD_TYPE)
-    set(HIP_RELEASE_OPTIONS "-O3 -DNDEBUG --std=c++11")
+    set(HIP_RELEASE_OPTIONS "-O3 --std=c++11")
   elseif(${CMAKE_BUILD_TYPE} STREQUAL "RelWithDebInfo")
     set(HIP_RELEASE_OPTIONS "-O2 -g --std=c++11")
   elseif(${CMAKE_BUILD_TYPE} STREQUAL "Release")
-    set(HIP_RELEASE_OPTIONS "-O3 -DNDEBUG --std=c++11")
+    set(HIP_RELEASE_OPTIONS "-O3 --std=c++11")
   elseif(${CMAKE_BUILD_TYPE} STREQUAL "Debug")
     set(HIP_RELEASE_OPTIONS "-O0 -g --std=c++11")
   endif()

INSTALL.md

@@ -454,10 +454,6 @@ architectures can be found in [arch folder](./arch/). The names of these files m
 Alternatively, <https://dashboard.cp2k.org> provides sample arch files as part of the testing
 reports (click on the status field, search for 'ARCH-file').
 
-- With -DNDEBUG assertions may be stripped ("compiled out").
-- NDEBUG is the ANSI-conforming symbol name (not \_\_NDEBUG).
-- Regular release builds may carry assertions for safety.
-
 Conventionally, there are six versions:
 
 | Acronym | Meaning                          |

src/CMakeLists.txt

@@ -1578,7 +1578,6 @@ target_compile_definitions(
     __COMPILE_REVISION=\"${CP2K_GIT_HASH}\"
     __DATA_DIR=\"${CMAKE_INSTALL_FULL_DATAROOTDIR}/cp2k/data\"
     __COMPILE_ARCH=\"${CMAKE_SYSTEM_PROCESSOR}\"
-    $<$<CONFIG:Release>:NDEBUG>
     $<$<CONFIG:COVERAGE>:__NO_ABORT>
     $<$<CONFIG:DEBUG>:__HAS_IEEE_EXCEPTIONS>
     $<$<CONFIG:DEBUG>:__CHECK_DIAG>
@@ -1690,9 +1689,8 @@ endforeach()
 add_executable(dbm_miniapp dbm/dbm_miniapp.c ${CP2K_DBM_SRCS_C}
                            ${CP2K_DBM_SRCS_GPU} ${CP2K_OFFLOAD_SRCS_C})
 target_compile_definitions(
-  dbm_miniapp
-  PRIVATE $<$<CONFIG:Release>:NDEBUG> $<$<BOOL:${CP2K_USE_LIBXSMM}>:__LIBXSMM>
-          $<$<STREQUAL:${CP2K_BLAS_VENDOR},"MKL">:__MKL>)
+  dbm_miniapp PRIVATE $<$<BOOL:${CP2K_USE_LIBXSMM}>:__LIBXSMM>
+                      $<$<STREQUAL:${CP2K_BLAS_VENDOR},"MKL">:__MKL>)
 
 if(CP2K_DISABLE_DBM_GPU)
   target_compile_definitions(dbm_miniapp PRIVATE __NO_OFFLOAD_DBM)
@@ -1709,10 +1707,8 @@ foreach(__app grid_miniapp grid_unittest)
     $<$<BOOL:${CP2K_USE_HIP}>:${CP2K_GRID_SRCS_HIP}>
     ${CP2K_OFFLOAD_SRCS_C})
   target_compile_definitions(
-    ${__app}
-    PRIVATE $<$<CONFIG:Release>:NDEBUG>
-            $<$<BOOL:${CP2K_USE_LIBXSMM}>:__LIBXSMM>
-            $<$<STREQUAL:${CP2K_BLAS_VENDOR},"MKL">:__MKL>)
+    ${__app} PRIVATE $<$<BOOL:${CP2K_USE_LIBXSMM}>:__LIBXSMM>
+                     $<$<STREQUAL:${CP2K_BLAS_VENDOR},"MKL">:__MKL>)
 
   if(CP2K_DISABLE_GRID_GPU)
     target_compile_definitions(${__app} PUBLIC __NO_OFFLOAD_GRID)

src/base/base_uses.f90

@@ -32,12 +32,7 @@
 ! In contrast to CPWARN, the warning counter is not increased
 #define CPHINT(msg) CALL cp__h(__SHORT_FILE__,__LINE__,msg)
 
-! CPASSERT can be elided if NDEBUG is defined.
-#if defined(NDEBUG)
-# define CPASSERT(cond)
-#else
 # define CPASSERT(cond) IF(.NOT.(cond))CALL cp__a(__SHORT_FILE__,__LINE__)
-#endif
 
 ! The MARK_USED macro can be used to mark an argument/variable as used. It is intended to make
 ! it possible to switch on -Werror=unused-dummy-argument, but deal elegantly with, e.g.,

src/cp2k_info.F

@@ -85,9 +85,6 @@ CONTAINS
       tmp_str = ""
       flags = TRIM(flags)//TRIM(tmp_str)
 
-#if defined(NDEBUG)
-      flags = TRIM(flags)//" ndebug"
-#endif
 !$    flags = TRIM(flags)//" omp"
 #if defined(__LIBINT)
       flags = TRIM(flags)//" libint"

src/environment.F

@@ -226,9 +226,14 @@ CONTAINS
                    " and is therefore no longer supported.")
 
 #if !defined(__FORCE_USE_FAST_MATH)
-#error -ffast-math (GCC) or -hfpN (N>0, Cray) can lead to wrong results and numerical instabilities and are therefore no longer supported
+#error "-ffast-math (GCC) or -hfpN (N>0, Cray) can lead to wrong results and numerical instabilities and are therefore no longer supported"
 #endif
 #endif
+
+#if defined(NDEBUG)
+#error "Please do not build CP2K with NDEBUG. There is no performance advantage and asserts will save your neck."
+#endif
+
    END SUBROUTINE cp2k_init
 
 ! **************************************************************************************************

src/grid/common/grid_library.c

@@ -37,6 +37,11 @@ static grid_library_config config = {
 #error "OpenMP is required. Please add -fopenmp to your C compiler flags."
 #endif
 
+#if defined(NDEBUG)
+#error                                                                         \
+    "Please do not build CP2K with NDEBUG. There is no performance advantage and asserts will save your neck."
+#endif
+
 /*******************************************************************************
  * \brief Initializes the grid library.
  * \author Ole Schuett

src/grid/hip/grid_hip_context.cu

@@ -323,12 +323,10 @@ extern "C" void grid_hip_create_task_list(
     assert(num_tasks == num_tasks_per_block[i]);
 
     // check that all tasks point to the same block
-#ifndef NDEBUG
     for (int tk = 0; tk < num_tasks; tk++)
       assert(
           tasks_host[sorted_blocks[tk + sorted_blocks_offset[i]]].block_num ==
           i);
-#endif
   }
   for (auto &block : task_sorted_by_block)
     block.clear();

tools/docker/scripts/test_regtest_cmake.sh

@@ -54,7 +54,7 @@ else
   echo -e "failed.\n\n"
   tail -n 100 ninja.log
   mkdir -p /workspace/artifacts/
-  cp ninja.out /workspace/artifacts/
+  cp ninja.log /workspace/artifacts/
   echo -e "\nSummary: Compilation failed."
   echo -e "Status: FAILED\n"
   exit 0

tools/precommit/check_file_properties.py

@@ -29,6 +29,7 @@ FLAG_EXCEPTIONS = (
     r"LIBINT_CONTRACTED_INTS",
     r"XC_MAJOR_VERSION",
     r"XC_MINOR_VERSION",
+    r"NDEBUG",
     r"OMP_DEFAULT_NONE_WITH_OOP",
     r"_OPENMP",
     r"__COMPILE_ARCH",