Toolchain: Remove valgrind

tools/toolchain/install_cp2k_toolchain.sh

@@ -154,9 +154,6 @@ The --with-PKG options follow the rules:
                           Default = system
   --with-cmake            Cmake utilities
                           Default = install
-  --with-valgrind         Valgrind memory debugging tool, only used for
-                          debugging purposes.
-                          Default = no
   --with-openmpi          OpenMPI, important if you want parallel version
                           of CP2K.
                           Default = system
@@ -267,7 +264,7 @@ EOF
 # PACKAGE LIST: register all new dependent tools and libs here. Order
 # is important, the first in the list gets installed first
 # ------------------------------------------------------------------------
-tool_list="gcc cmake valgrind"
+tool_list="gcc cmake"
 mpi_list="mpich openmpi intelmpi"
 math_list="mkl acml openblas reflapack"
 lib_list="fftw libint libxc libsmm libxsmm cosma scalapack elpa plumed \
@@ -523,9 +520,6 @@ while [ $# -ge 1 ]; do
     --with-cmake*)
       with_cmake=$(read_with $1)
       ;;
-    --with-valgrind*)
-      with_valgrind=$(read_with $1)
-      ;;
     --with-mpich*)
       with_mpich=$(read_with $1)
       if [ $with_mpich != __DONTUSE__ ]; then
@@ -650,7 +644,6 @@ export ENABLE_CUDA=$enable_cuda
 export ENABLE_CRAY=$enable_cray
 [ "$enable_gcc_master" = "__TRUE__" ] && export gcc_ver=master
 [ "$enable_libxsmm_master" = "__TRUE__" ] && export libxsmm_ver=master
-[ "$with_valgrind" != "__DONTUSE__" ] && export ENABLE_VALGRIND="__TRUE__"
 
 # ------------------------------------------------------------------------
 # Check and solve known conflicts before installations proceed
@@ -667,14 +660,6 @@ if [ $ENABLE_TSAN = "__TRUE__" ]; then
   with_libsmm="__DONTUSE__"
 fi
 
-# valgrind conflicts
-if [ "$ENABLE_VALGRIND" = "__TRUE__" ]; then
-  if [ "$with_reflapack" = "__DONTUSE__" ]; then
-    echo "reflapack is automatically installed when valgrind is enabled"
-    with_reflapack="__INSTALL__"
-  fi
-fi
-
 # mpi library conflicts
 if [ $MPI_MODE = no ]; then
   if [ "$with_scalapack" != "__DONTUSE__" ]; then

tools/toolchain/scripts/common_vars.sh

@@ -32,7 +32,6 @@ LIB_PATHS=${LIB_PATHS:-'LD_LIBRARY_PATH LIBRARY_PATH LD_RUN_PATH SYS_LIB_PATH'}
 # mode flags
 ENABLE_OMP=${ENABLE_OMP:-"__TRUE__"}
 ENABLE_TSAN=${ENABLE_TSAN:-"__FALSE__"}
-ENABLE_VALGRIND=${ENABLE_VALGRIND:-"__FALSE__"}
 ENABLE_CUDA=${ENABLE_CUDA:-"__FALSE__"}
 ENABLE_CRAY=${ENABLE_CRAY:-"__FALSE__"}
 MPI_MODE=${MPI_MODE:-openmpi}

tools/toolchain/scripts/generate_arch_files.sh

@@ -88,8 +88,7 @@ WFLAGS="$WFLAGS_ERROR $WFLAGS_WARN IF_WARNALL(${WFLAGS_WARNALL}|)"
 FCDEBFLAGS="$FCDEB_FLAGS IF_DEBUG($FCDEB_FLAGS_DEBUG|)"
 DFLAGS="${CP_DFLAGS} IF_DEBUG($IEEE_EXCEPTIONS_DFLAGS -D__CHECK_DIAG|) IF_COVERAGE($COVERAGE_DFLAGS|)"
 # language independent flags
-# valgrind with avx can lead to spurious out-of-bound results
-G_CFLAGS="$BASEFLAGS IF_VALGRIND(-mno-avx -mno-avx2|)"
+G_CFLAGS="$BASEFLAGS"
 G_CFLAGS="$G_CFLAGS IF_COVERAGE($COVERAGE_FLAGS|IF_DEBUG($NOOPT_FLAGS|$OPT_FLAGS))"
 G_CFLAGS="$G_CFLAGS IF_DEBUG(|$PROFOPT_FLAGS)"
 G_CFLAGS="$G_CFLAGS $CP_CFLAGS"
@@ -150,7 +149,7 @@ gen_arch_file() {
   local __filename=$1
   shift
   local __flags=$@
-  local __full_flag_list="MPI DEBUG CUDA WARNALL VALGRIND COVERAGE"
+  local __full_flag_list="MPI DEBUG CUDA WARNALL COVERAGE"
   local __flag=''
   for __flag in $__full_flag_list; do
     eval "local __${__flag}=off"
@@ -218,14 +217,6 @@ if [ "$ENABLE_CUDA" = __TRUE__ ]; then
   fi
 fi
 
-# valgrind enabled arch files
-if [ "$ENABLE_VALGRIND" = __TRUE__ ]; then
-  gen_arch_file "local_valgrind.ssmp" VALGRIND
-  if [ "$MPI_MODE" != no ]; then
-    gen_arch_file "local_valgrind.psmp" VALGRIND MPI
-  fi
-fi
-
 cd "${ROOTDIR}"
 
 # -------------------------
@@ -245,7 +236,6 @@ To build CP2K you should change directory:
   make -j $(get_nprocs) ARCH=local VERSION="${arch_vers}"
 
 arch files for GPU enabled CUDA versions are named "local_cuda.*"
-arch files for valgrind versions are named "local_valgrind.*"
 arch files for coverage versions are named "local_coverage.*"
 
 Note that these pre-built arch files are for the GNU compiler, users have to adapt them for other compilers.

tools/toolchain/scripts/stage1/install_stage1.sh

@@ -9,6 +9,5 @@
 ./scripts/stage1/install_mpich.sh
 ./scripts/stage1/install_openmpi.sh
 ./scripts/stage1/install_intelmpi.sh
-./scripts/stage1/install_valgrind.sh
 
 #EOF

tools/toolchain/scripts/stage2/install_mathlibs.sh

@@ -58,15 +58,9 @@ if [ "$with_reflapack" = "__DONTUSE__" ]; then
   export REF_MATH_LIBS="${FAST_MATH_LIBS}"
 fi
 
-if [ $ENABLE_VALGRIND = "__TRUE__" ]; then
-  export MATH_CFLAGS="${REF_MATH_CFLAGS}"
-  export MATH_LDFLAGS="${REF_MATH_LDFLAGS}"
-  export MATH_LIBS="${REF_MATH_LIBS}"
-else
-  export MATH_CFLAGS="${FAST_MATH_CFLAGS}"
-  export MATH_LDFLAGS="${FAST_MATH_LDFLAGS}"
-  export MATH_LIBS="${FAST_MATH_LIBS}"
-fi
+export MATH_CFLAGS="${FAST_MATH_CFLAGS}"
+export MATH_LDFLAGS="${FAST_MATH_LDFLAGS}"
+export MATH_LIBS="${FAST_MATH_LIBS}"
 
 export CP_CFLAGS="${CP_CFLAGS} IF_DEBUG(${REF_MATH_CFLAGS}|IF_VALGRIND(${REF_MATH_CFLAGS}|${FAST_MATH_CFLAGS}))"
 export CP_LDFLAGS="${CP_LDFLAGS} IF_DEBUG(${REF_MATH_LDFLAGS}|IF_VALGRIND(${REF_MATH_LDFLAGS}|${FAST_MATH_LDFLAGS}))"