Miscellaneous of updates and adaptations

CMakeLists.txt

@@ -73,8 +73,18 @@ if( HAVE_HDF5 )
     list(APPEND CLOUDSC_DEFINITIONS HAVE_HDF5 )
 endif()
 
+
+### Loki
 ecbuild_find_package( NAME loki )
 
+# Add option for single-precision builds
+ecbuild_add_option( FEATURE SINGLE_PRECISION
+    DESCRIPTION "Build CLOUDSC in single precision" DEFAULT OFF
+)
+if( HAVE_SINGLE_PRECISION )
+    list(APPEND CLOUDSC_DEFINITIONS SINGLE)
+endif()
+
 # build executables
 add_subdirectory(src)
 

arch/cscs/daint/intel/6.0.10/env.sh

@@ -0,0 +1,41 @@
+# (C) Copyright 1988- ECMWF.
+#
+# This software is licensed under the terms of the Apache Licence Version 2.0
+# which can be obtained at http://www.apache.org/licenses/LICENSE-2.0.
+# In applying this licence, ECMWF does not waive the privileges and immunities
+# granted to it by virtue of its status as an intergovernmental organisation
+# nor does it submit to any jurisdiction.
+
+# Source me to get the correct configure/build/run environment
+
+# Store tracing and disable (module is *way* too verbose)
+{ tracing_=${-//[^x]/}; set +x; } 2>/dev/null
+
+module_load() {
+  echo "+ module load $1"
+  module load $1
+}
+module_unload() {
+  echo "+ module unload $1"
+  module unload $1
+}
+
+# Unload all modules to be certain
+module purge -f
+
+# Load modules
+module load daint-gpu
+module load PrgEnv-intel/6.0.10
+module swap intel/2021.3.0 intel-classic/2022.1.0
+#module load Boost
+module load CMake
+module load cudatoolkit/11.2.0_3.39-2.1__gf93aa1c  # needed for cmake to find hdf5
+module load cray-hdf5-parallel
+module load cray-python
+
+set -x
+
+# Restore tracing to stored setting
+{ if [[ -n "$tracing_" ]]; then set -x; else set +x; fi } 2>/dev/null
+
+export ECBUILD_TOOLCHAIN="./toolchain.cmake"

arch/cscs/daint/intel/6.0.10/toolchain.cmake

@@ -0,0 +1,149 @@
+# (C) Copyright 1988- ECMWF.
+#
+# This software is licensed under the terms of the Apache Licence Version 2.0
+# which can be obtained at http://www.apache.org/licenses/LICENSE-2.0.
+# In applying this licence, ECMWF does not waive the privileges and immunities
+# granted to it by virtue of its status as an intergovernmental organisation
+# nor does it submit to any jurisdiction.
+
+####################################################################
+# ARCHITECTURE
+####################################################################
+
+set( EC_HAVE_C_INLINE 1 )
+set( EC_HAVE_FUNCTION_DEF 1 )
+set( EC_HAVE_CXXABI_H 1 )
+set( EC_HAVE_CXX_BOOL 1 )
+set( EC_HAVE_CXX_SSTREAM 1 )
+set( EC_HAVE_CXX_INT_128 0 )
+set( CMAKE_SIZEOF_VOID_P 8 )
+set( EC_SIZEOF_PTR 8 )
+set( EC_SIZEOF_CHAR 1 )
+set( EC_SIZEOF_SHORT 2 )
+set( EC_SIZEOF_INT 4 )
+set( EC_SIZEOF_LONG 8 )
+set( EC_SIZEOF_LONG_LONG 8 )
+set( EC_SIZEOF_FLOAT 4 )
+set( EC_SIZEOF_DOUBLE 8 )
+set( EC_SIZEOF_LONG_DOUBLE 8 )
+set( EC_SIZEOF_SIZE_T 8 )
+set( EC_SIZEOF_SSIZE_T 8 )
+set( EC_SIZEOF_OFF_T 8 )
+set( EC_BIG_ENDIAN 0 )
+set( EC_LITTLE_ENDIAN 1 )
+set( IEEE_BE 0 )
+set( IEEE_LE 1 )
+set( EC_HAVE_FSEEK 1 )
+set( EC_HAVE_FSEEKO 1 )
+set( EC_HAVE_FTELLO 1 )
+set( EC_HAVE_LSEEK 0 )
+set( EC_HAVE_FTRUNCATE 0 )
+set( EC_HAVE_OPEN 0 )
+set( EC_HAVE_FOPEN 1 )
+set( EC_HAVE_FMEMOPEN 1 )
+set( EC_HAVE_FUNOPEN 0 )
+set( EC_HAVE_FLOCK 1 )
+set( EC_HAVE_MMAP 1 )
+set( EC_HAVE_POSIX_MEMALIGN 1 )
+set( EC_HAVE_F_GETLK 1 )
+set( EC_HAVE_F_SETLK 1 )
+set( EC_HAVE_F_SETLKW 1 )
+set( EC_HAVE_F_GETLK64 1 )
+set( EC_HAVE_F_SETLK64 1 )
+set( EC_HAVE_F_SETLKW64 1 )
+set( EC_HAVE_MAP_ANONYMOUS 1 )
+set( EC_HAVE_MAP_ANON 1 )
+set( EC_HAVE_ASSERT_H 1 )
+set( EC_HAVE_STDLIB_H 1 )
+set( EC_HAVE_UNISTD_H 1 )
+set( EC_HAVE_STRING_H 1 )
+set( EC_HAVE_STRINGS_H 1 )
+set( EC_HAVE_SYS_STAT_H 1 )
+set( EC_HAVE_SYS_TIME_H 1 )
+set( EC_HAVE_SYS_TYPES_H 1 )
+set( EC_HAVE_MALLOC_H 1 )
+set( EC_HAVE_SYS_MALLOC_H 0 )
+set( EC_HAVE_SYS_PARAM_H 1 )
+set( EC_HAVE_SYS_MOUNT_H 1 )
+set( EC_HAVE_SYS_VFS_H 1 )
+set( EC_HAVE_OFFT 1 )
+set( EC_HAVE_OFF64T 1 )
+set( EC_HAVE_STRUCT_STAT 1 )
+set( EC_HAVE_STRUCT_STAT64 1 )
+set( EC_HAVE_STAT 1 )
+set( EC_HAVE_STAT64 1 )
+set( EC_HAVE_FSTAT 1 )
+set( EC_HAVE_FSTAT64 1 )
+set( EC_HAVE_FSEEKO64 1 )
+set( EC_HAVE_FTELLO64 1 )
+set( EC_HAVE_LSEEK64 1 )
+set( EC_HAVE_OPEN64 1 )
+set( EC_HAVE_FOPEN64 1 )
+set( EC_HAVE_FTRUNCATE64 1 )
+set( EC_HAVE_FLOCK64 1 )
+set( EC_HAVE_MMAP64 1 )
+set( EC_HAVE_STRUCT_STATVFS 1 )
+set( EC_HAVE_STRUCT_STATVFS64 1 )
+set( EC_HAVE_FOPENCOOKIE 1 )
+set( EC_HAVE_FSYNC 1 )
+set( EC_HAVE_FDATASYNC 1 )
+set( EC_HAVE_DIRFD 1 )
+set( EC_HAVE_SYSPROC 0 )
+set( EC_HAVE_SYSPROCFS 1 )
+set( EC_HAVE_EXECINFO_BACKTRACE 1 )
+set( EC_HAVE_GMTIME_R 1 )
+set( EC_HAVE_GETPWUID_R 1 )
+set( EC_HAVE_GETPWNAM_R 1 )
+set( EC_HAVE_READDIR_R 1 )
+set( EC_HAVE_DIRENT_D_TYPE 1 )
+set( EC_HAVE_GETHOSTBYNAME_R 1 )
+set( EC_HAVE_ATTRIBUTE_CONSTRUCTOR 1 )
+set( EC_ATTRIBUTE_CONSTRUCTOR_INITS_ARGV 0 )
+set( EC_HAVE_PROCFS 1 )
+set( EC_HAVE_DLFCN_H 1 )
+set( EC_HAVE_DLADDR 1 )
+set( EC_HAVE_AIOCB 1 )
+set( EC_HAVE_AIOCB64 1 )
+
+# Disable relative rpaths as aprun does not respect it
+set( ENABLE_RELATIVE_RPATHS OFF CACHE STRING "Disable relative rpaths" FORCE )
+
+####################################################################
+# COMPILER
+####################################################################
+
+set( ECBUILD_FIND_MPI ON )
+set( ECBUILD_TRUST_FLAGS ON )
+
+####################################################################
+# Compiler FLAGS
+####################################################################
+
+# General Flags (add to default)
+
+set(ECBUILD_Fortran_FLAGS "-g")
+set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -qopenmp-threadprivate compat")
+set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -assume byterecl")
+set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -convert big_endian")
+set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -traceback")
+set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -align array64byte")
+set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -warn nounused,nouncalled")
+set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -march=core-avx2")
+set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -finline-functions")
+#set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -finline-limit=1500")
+set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -Winline")
+set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -no-fma")
+set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -assume realloc_lhs")
+set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -fp-model precise")
+set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -ftz")
+set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -fp-speculation=safe")
+#set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -fast-transcendentals")
+
+####################################################################
+# LINK FLAGS
+####################################################################
+
+set( ECBUILD_SHARED_LINKER_FLAGS "-Wl,--eh-frame-hdr -Ktrap=fp" )
+set( ECBUILD_MODULE_LINKER_FLAGS "-Wl,--eh-frame-hdr -Ktrap=fp -Wl,-Map,loadmap" )
+set( ECBUILD_EXE_LINKER_FLAGS    "-Wl,--eh-frame-hdr -Ktrap=fp -Wl,-Map,loadmap -Wl,--as-needed" )
+set( ECBUILD_CXX_IMPLICIT_LINK_LIBRARIES "${LIBCRAY_CXX_RTS}" CACHE STRING "" )

arch/cscs/daint/nvidia/6.0.10/env.sh

@@ -0,0 +1,45 @@
+# (C) Copyright 1988- ECMWF.
+#
+# This software is licensed under the terms of the Apache Licence Version 2.0
+# which can be obtained at http://www.apache.org/licenses/LICENSE-2.0.
+# In applying this licence, ECMWF does not waive the privileges and immunities
+# granted to it by virtue of its status as an intergovernmental organisation
+# nor does it submit to any jurisdiction.
+
+# Source me to get the correct configure/build/run environment
+
+# Store tracing and disable (module is *way* too verbose)
+{ tracing_=${-//[^x]/}; set +x; } 2>/dev/null
+
+module_load() {
+  echo "+ module load $1"
+  module load $1
+}
+module_unload() {
+  echo "+ module unload $1"
+  module unload $1
+}
+
+# Unload all modules to be certain
+module purge -f
+
+# Load modules
+module load daint-gpu
+module load PrgEnv-nvidia/6.0.10
+module swap nvidia/21.3 nvidia/22.5
+#module load Boost
+module load CMake
+module load cudatoolkit/11.2.0_3.39-2.1__gf93aa1c  # needed for cmake to find hdf5
+module load cray-hdf5-parallel
+module load cray-python
+
+# Increase stack size to maximum
+ulimit -S -s unlimited
+
+set -x
+
+# Restore tracing to stored setting
+{ if [[ -n "$tracing_" ]]; then set -x; else set +x; fi } 2>/dev/null
+
+export ECBUILD_TOOLCHAIN="./toolchain.cmake"
+export BOOST_ROOT=/users/subbiali/boost/1.82.0

arch/cscs/daint/nvidia/6.0.10/toolchain.cmake

@@ -0,0 +1,53 @@
+# (C) Copyright 1988- ECMWF.
+#
+# This software is licensed under the terms of the Apache Licence Version 2.0
+# which can be obtained at http://www.apache.org/licenses/LICENSE-2.0.
+# In applying this licence, ECMWF does not waive the privileges and immunities
+# granted to it by virtue of its status as an intergovernmental organisation
+# nor does it submit to any jurisdiction.
+
+####################################################################
+# COMPILER
+####################################################################
+
+set( ECBUILD_FIND_MPI ON )
+
+####################################################################
+# OpenAcc FLAGS
+####################################################################
+
+# NB: We have to add `-mp` again to avoid undefined symbols during linking
+# (smells like an Nvidia bug)
+set( OpenACC_Fortran_FLAGS "-acc=gpu -gpu=cc60,lineinfo,fastmath" CACHE STRING "" )
+# Enable this to get more detailed compiler output
+# set( OpenACC_Fortran_FLAGS "${OpenACC_Fortran_FLAGS} -Minfo" )
+
+####################################################################
+# CUDA FLAGS
+####################################################################
+
+if(NOT DEFINED CMAKE_CUDA_ARCHITECTURES)
+  set(CMAKE_CUDA_ARCHITECTURES 60)
+endif()
+if(NOT DEFINED CMAKE_CUDA_COMPILER)
+  set(CMAKE_CUDA_COMPILER /opt/nvidia/hpc_sdk/Linux_x86_64/21.3/compilers/bin/nvcc)
+endif()
+
+####################################################################
+# COMMON FLAGS
+####################################################################
+
+set(ECBUILD_Fortran_FLAGS "-fpic")
+set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -Mframe")
+set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -Mbyteswapio")
+set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -Mstack_arrays")
+set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -Mrecursive")
+set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -Ktrap=fp")
+set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -Kieee")
+set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -Mdaz")
+
+set( ECBUILD_Fortran_FLAGS_BIT "-O2 -gopt" )
+
+set( ECBUILD_C_FLAGS "-O2 -gopt -traceback" )
+
+set( ECBUILD_CXX_FLAGS "-O2 -gopt" )

arch/eurohpc/lumi/cray-gpu/14.0.2/env.sh

@@ -0,0 +1,49 @@
+# (C) Copyright 1988- ECMWF.
+#
+# This software is licensed under the terms of the Apache Licence Version 2.0
+# which can be obtained at http://www.apache.org/licenses/LICENSE-2.0.
+# In applying this licence, ECMWF does not waive the privileges and immunities
+# granted to it by virtue of its status as an intergovernmental organisation
+# nor does it submit to any jurisdiction.
+
+# Source me to get the correct configure/build/run environment
+
+# Store tracing and disable (module is *way* too verbose)
+{ tracing_=${-//[^x]/}; set +x; } 2>/dev/null
+
+module_load() {
+  echo "+ module load $1"
+  module load $1
+}
+module_unload() {
+  echo "+ module unload $1"
+  module unload $1
+}
+
+# Unload to be certain
+module reset
+
+# Load modules
+module_load PrgEnv-cray/8.3.3
+module_load LUMI/22.08
+# module_load partition/G
+module_load rocm/5.0.2
+module_load cce/14.0.2
+module_load cray-libsci/22.08.1.1
+module_load cray-mpich/8.1.18
+module_load craype/2.7.17
+module_load craype-accel-amd-gfx90a
+module_load buildtools/22.08
+module_load cray-hdf5/1.12.1.5
+module_load cray-python/3.9.12.1
+
+module list
+
+set -x
+
+export CC=cc CXX=CC FC=ftn
+
+# Restore tracing to stored setting
+{ if [[ -n "$tracing_" ]]; then set -x; else set +x; fi } 2>/dev/null
+
+export ECBUILD_TOOLCHAIN="./toolchain.cmake"