HDF5 support for CUDA/HIP/SYCL variants

.github/scripts/verify-targets.sh

@@ -21,10 +21,7 @@ then
   if [[ "$build_flags" == *"--with-cuda"* ]]
   then
     targets+=(dwarf-cloudsc-gpu-scc-cuf dwarf-cloudsc-gpu-scc-cuf-k-caching)
-    if [[ "$io_library_flag" == "--with-serialbox" ]]
-    then
-        targets+=(dwarf-cloudsc-c-cuda dwarf-cloudsc-c-cuda-hoist dwarf-cloudsc-c-cuda-k-caching)
-    fi
+    targets+=(dwarf-cloudsc-c-cuda dwarf-cloudsc-c-cuda-hoist dwarf-cloudsc-c-cuda-k-caching)
   fi
 fi
 

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

@@ -34,15 +34,29 @@ 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
 
+### Handling of "magic" cray modules
+# 1) Load the cray modules
+module_load cray-hdf5/1.12.1.5
+# 2) Store variables to locate the packages
+_HDF5_ROOT=${CRAY_HDF5_PREFIX}
+# 3) Unload the cray modules in reverse order, removing all the magic
+module_unload cray-hdf5
+# 4) Define variables that CMake introspects
+export HDF5_ROOT=${_HDF5_ROOT}
+
+# Export environment variable3s
+export MPI_HOME=${MPICH_DIR}
+export CC=cc
+export CXX=CC
+export FC=ftn
+export HIPCXX=$(hipconfig --hipclangpath)/clang++
+
 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
 

arch/eurohpc/lumi/cray-gpu/14.0.2/toolchain.cmake

@@ -18,8 +18,13 @@ set( ENABLE_USE_STMT_FUNC ON CACHE STRING "" )
 ####################################################################
 
 set( ENABLE_OMP ON CACHE STRING "" )
-set( OpenMP_C_FLAGS   "-homp" CACHE STRING "" )
-set( OpenMP_Fortran_FLAGS   "-homp" CACHE STRING "" )
+set( OpenMP_C_FLAGS   "-fopenmp" CACHE STRING "" )
+set( OpenMP_CXX_FLAGS "-fopenmp" CACHE STRING "" )
+
+set( OpenMP_C_LIB_NAMES       "craymp" )
+set( OpenMP_CXX_LIB_NAMES     "craymp" )
+set( OpenMP_Fortran_LIB_NAMES "craymp" )
+set( OpenMP_craymp_LIBRARY    "/opt/cray/pe/cce/14.0.2/cce/x86_64/lib/libcraymp.so" )
 
 ####################################################################
 # OpenACC FLAGS
@@ -40,3 +45,7 @@ set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -hbyteswapio")
 set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -Wl, --as-needed")
 
 set(ECBUILD_Fortran_FLAGS_BIT "-O3 -hfp1 -hscalar3 -hvector3 -G2 -haggress -DNDEBUG")
+
+if(NOT DEFINED CMAKE_HIP_ARCHITECTURES)
+  set(CMAKE_HIP_ARCHITECTURES gfx90a)
+endif()

arch/eurohpc/lumi/cray-gpu/15.0.1/env.sh

@@ -34,17 +34,31 @@ module_load cray-mpich/8.1.18
 module_load craype/2.7.20
 module_load craype-accel-amd-gfx90a
 module_load buildtools/23.03
-module_load cray-hdf5/1.12.1.5
 module_load cray-python/3.9.12.1
 module_load Boost/1.81.0-cpeCray-23.03
 module_load partition/G
 
+### Handling of "magic" cray modules
+# 1) Load the cray modules
+module_load cray-hdf5/1.12.1.5
+# 2) Store variables to locate the packages
+_HDF5_ROOT=${CRAY_HDF5_PREFIX}
+# 3) Unload the cray modules in reverse order, removing all the magic
+module_unload cray-hdf5
+# 4) Define variables that CMake introspects
+export HDF5_ROOT=${_HDF5_ROOT}
+
+# Export environment variable3s
+export MPI_HOME=${MPICH_DIR}
+export CC=cc
+export CXX=CC
+export FC=ftn
+export HIPCXX=$(hipconfig --hipclangpath)/clang++
+
 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
 

arch/eurohpc/lumi/cray-gpu/15.0.1/toolchain.cmake

@@ -41,7 +41,7 @@ set( OpenACC_Fortran_FLAGS "-hacc -h acc_model=deep_copy" )
 ####################################################################
 
 set(CMAKE_HIP_FLAGS "${CMAKE_HIP_FLAGS} -03 -ffast-math")
-if(NOT DEFINED CMAKE_CUDA_ARCHITECTURES)
+if(NOT DEFINED CMAKE_HIP_ARCHITECTURES)
   set(CMAKE_HIP_ARCHITECTURES gfx90a)
 endif()
 

arch/eurohpc/lumi/cray-gpu/16.0.1/env.sh

@@ -34,16 +34,30 @@ module_load rocm/5.2.3
 module_load buildtools/23.09
 module_load Boost/1.82.0-cpeCray-23.09
 module_load cray-python/3.10.10
-module_load cray-hdf5/1.12.2.7
 module_load craype-x86-trento
 module_load craype-accel-amd-gfx90a
 
+### Handling of "magic" cray modules
+# 1) Load the cray modules
+module_load cray-hdf5/1.12.2.7
+# 2) Store variables to locate the packages
+_HDF5_ROOT=${CRAY_HDF5_PREFIX}
+# 3) Unload the cray modules in reverse order, removing all the magic
+module_unload cray-hdf5
+# 4) Define variables that CMake introspects
+export HDF5_ROOT=${_HDF5_ROOT}
+
+# Export environment variable3s
+export MPI_HOME=${MPICH_DIR}
+export CC=cc
+export CXX=CC
+export FC=ftn
+export HIPCXX=$(hipconfig --hipclangpath)/clang++
+
 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
 

arch/eurohpc/lumi/cray-gpu/16.0.1/toolchain.cmake

@@ -44,6 +44,9 @@ set(ECBUILD_Fortran_FLAGS "${ECBUILD_Fortran_FLAGS} -Wl, --as-needed")
 
 set(ECBUILD_Fortran_FLAGS_BIT "-O3 -hfp1 -hscalar3 -hvector3 -G2 -haggress -DNDEBUG")
 
-set( GPU_TARGETS "gfx90a" CACHE STRING "" )
-# select OpenMP pragma to be used 
+if(NOT DEFINED CMAKE_HIP_ARCHITECTURES)
+  set(CMAKE_HIP_ARCHITECTURES gfx90a)
+endif()
+
+# select OpenMP pragma to be used
 set( HAVE_OMP_TARGET_LOOP_CONSTRUCT_BIND_PARALLEL OFF CACHE BOOL "" )

src/cloudsc_cuda/CMakeLists.txt

@@ -9,7 +9,7 @@
 # Define this dwarf variant as an ECBuild feature
 ecbuild_add_option( FEATURE CLOUDSC_C_CUDA
     DESCRIPTION "Build the CUDA version of CLOUDSC C using Serialbox" DEFAULT ON
-    CONDITION Serialbox_FOUND AND HAVE_CUDA
+    CONDITION (Serialbox_FOUND OR HDF5_FOUND) AND HAVE_CUDA
 )
 
 if( HAVE_CLOUDSC_C_CUDA )
@@ -36,9 +36,12 @@ if( HAVE_CLOUDSC_C_CUDA )
         PUBLIC_INCLUDES
             $<INSTALL_INTERFACE:include>
             $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/cloudsc>
-        PUBLIC_LIBS
-            Serialbox::Serialbox_C
-            $<${HAVE_OMP}:OpenMP::OpenMP_C>
+	PUBLIC_LIBS
+	    $<${HAVE_HDF5}:hdf5::hdf5>
+	    $<${HAVE_SERIALBOX}:Serialbox::Serialbox_C>
+	    $<${HAVE_OMP}:OpenMP::OpenMP_C>
+	DEFINITIONS
+	    ${CLOUDSC_DEFINITIONS}
     )
 
     target_include_directories(
@@ -91,9 +94,12 @@ if( HAVE_CLOUDSC_C_CUDA )
         PUBLIC_INCLUDES
             $<INSTALL_INTERFACE:include>
             $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/cloudsc>
-        PUBLIC_LIBS
-            Serialbox::Serialbox_C
-            $<${HAVE_OMP}:OpenMP::OpenMP_C>
+	PUBLIC_LIBS
+	    $<${HAVE_HDF5}:hdf5::hdf5>
+	    $<${HAVE_SERIALBOX}:Serialbox::Serialbox_C>
+	    $<${HAVE_OMP}:OpenMP::OpenMP_C>
+	DEFINITIONS
+	    ${CLOUDSC_DEFINITIONS}
     )
 
     target_include_directories(
@@ -146,9 +152,12 @@ if( HAVE_CLOUDSC_C_CUDA )
         PUBLIC_INCLUDES
             $<INSTALL_INTERFACE:include>
             $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/cloudsc>
-        PUBLIC_LIBS
-            Serialbox::Serialbox_C
-            $<${HAVE_OMP}:OpenMP::OpenMP_C>
+	PUBLIC_LIBS
+	    $<${HAVE_HDF5}:hdf5::hdf5>
+	    $<${HAVE_SERIALBOX}:Serialbox::Serialbox_C>
+	    $<${HAVE_OMP}:OpenMP::OpenMP_C>
+	DEFINITIONS
+	    ${CLOUDSC_DEFINITIONS}
     )
 
     target_include_directories(
@@ -181,9 +190,19 @@ if( HAVE_CLOUDSC_C_CUDA )
     )
     ###
 
-    # Create symlink for the input data
-    execute_process(COMMAND ${CMAKE_COMMAND} -E create_symlink
-        ${CMAKE_CURRENT_SOURCE_DIR}/../../data ${CMAKE_CURRENT_BINARY_DIR}/../../../data )
+
+ # Create symlink for the input data
+ if( HAVE_SERIALBOX )
+   execute_process(COMMAND ${CMAKE_COMMAND} -E create_symlink
+       ${CMAKE_CURRENT_SOURCE_DIR}/../../data ${CMAKE_CURRENT_BINARY_DIR}/../../../data )
+ endif()
+
+ if( HAVE_HDF5 )
+   execute_process(COMMAND ${CMAKE_COMMAND} -E create_symlink
+       ${CMAKE_CURRENT_SOURCE_DIR}/../../config-files/input.h5 ${CMAKE_CURRENT_BINARY_DIR}/../../../input.h5 )
+   execute_process(COMMAND ${CMAKE_COMMAND} -E create_symlink
+       ${CMAKE_CURRENT_SOURCE_DIR}/../../config-files/reference.h5 ${CMAKE_CURRENT_BINARY_DIR}/../../../reference.h5 )
+ endif()
 
 else()
     ecbuild_info( "Serialbox and/or CUDA not found, disabling CUDA prototype(s)" )

src/cloudsc_cuda/cloudsc/cloudsc_validate.cu

@@ -50,8 +50,6 @@ void validate_1d(const char *name, double * v_ref, double * v_field, int nlon, i
   /* Computes and prints errors in the "L2 norm sense" */
   int b, bsize, jk;
   double zminval, zmaxval, zdiff, zmaxerr, zerrsum, zsum, zrelerr, zavgpgp;
-  double (*field)[nlon] = (double (*)[nlon]) v_field;
-  double (*reference)[nlon] = (double (*)[nlon]) v_ref;
 
   zminval = +DBL_MAX;
   zmaxval = -DBL_MAX;
@@ -64,14 +62,14 @@ void validate_1d(const char *name, double * v_ref, double * v_field, int nlon, i
   for (b = 0; b < nblocks; b++) {
     bsize = min(nlon, ngptot - b*nlon);  // field block size
     for (jk = 0; jk < bsize; jk++) {
-      zminval = fmin(zminval, field[b][jk]);
-      zmaxval = fmax(zmaxval, field[b][jk]);
+      zminval = fmin(zminval, v_field[b*nlon+jk]);
+      zmaxval = fmax(zmaxval, v_field[b*nlon+jk]);
 
       // Difference against reference result in one-norm sense
-      zdiff = fabs(field[b][jk] - reference[b][jk]);
+      zdiff = fabs(v_field[b*nlon+jk] - v_ref[b*nlon+jk]);
       zmaxerr = fmax(zmaxerr, zdiff);
       zerrsum = zerrsum + zdiff;
-      zsum = zsum + abs(reference[b][jk]);
+      zsum = zsum + abs(v_ref[b*nlon+jk]);
     }
   }
   zavgpgp = zerrsum / (double) ngptot;
@@ -84,8 +82,6 @@ void validate_2d(const char *name, double *v_ref, double *v_field, int nlon, int
   /* Computes and prints errors in the "L2 norm sense" */
   int b, bsize, jl, jk;
   double zminval, zmaxval, zdiff, zmaxerr, zerrsum, zsum, zrelerr, zavgpgp;
-  double (*field)[nlev][nlon] = (double (*)[nlev][nlon]) v_field;
-  double (*reference)[nlev][nlon] = (double (*)[nlev][nlon]) v_ref;
 
   zminval = +DBL_MAX;
   zmaxval = -DBL_MAX;
@@ -99,13 +95,14 @@ void validate_2d(const char *name, double *v_ref, double *v_field, int nlon, int
     bsize = min(nlon, ngptot - b*nlon);  // field block size
     for (jl = 0; jl < nlev; jl++) {
       for (jk = 0; jk < bsize; jk++) {
-	zminval = fmin(zminval, field[b][jl][jk]);
-	zmaxval = fmax(zmaxval, field[b][jl][jk]);
+	zminval = fmin(zminval, v_field[b*nlev*nlon+jl*nlon+jk]);
+	zmaxval = fmax(zmaxval, v_field[b*nlev*nlon+jl*nlon+jk]);
+
 	// Difference against reference result in one-norm sense
-	zdiff = fabs(field[b][jl][jk] - reference[b][jl][jk]);
+	zdiff = fabs(v_field[b*nlev*nlon+jl*nlon+jk] - v_ref[b*nlev*nlon+jl*nlon+jk]);
 	zmaxerr = fmax(zmaxerr, zdiff);
 	zerrsum = zerrsum + zdiff;
-	zsum = zsum + abs(reference[b][jl][jk]);
+	zsum = zsum + abs(v_ref[b*nlev*nlon+jl*nlon+jk]);
       }
     }
   }
@@ -120,8 +117,6 @@ void validate_3d(const char *name, double *v_ref, double *v_field, int nlon,
   /* Computes and prints errors in the "L2 norm sense" */
   int b, bsize, jl, jk, jm;
   double zminval, zmaxval, zdiff, zmaxerr, zerrsum, zsum, zrelerr, zavgpgp;
-  double (*field)[nclv][nlev][nlon] = (double (*)[nclv][nlev][nlon]) v_field;
-  double (*reference)[nclv][nlev][nlon] = (double (*)[nclv][nlev][nlon]) v_ref;
 
   zminval = +DBL_MAX;
   zmaxval = -DBL_MAX;
@@ -136,18 +131,18 @@ void validate_3d(const char *name, double *v_ref, double *v_field, int nlon,
     for (jm = 0; jm < nclv; jm++) {
       for (jl = 0; jl < nlev; jl++) {
 	for (jk = 0; jk < bsize; jk++) {
-	  zminval = fmin(zminval, field[b][jm][jl][jk]);
-	  zmaxval = fmax(zmaxval, field[b][jm][jl][jk]);
+	  zminval = fmin(zminval, v_field[b*nclv*nlev*nlon+jm*nlev*nlon+jl*nlon+jk]);
+	  zmaxval = fmax(zmaxval, v_field[b*nclv*nlev*nlon+jm*nlev*nlon+jl*nlon+jk]);
 
 	  // Difference against reference result in one-norm sense
-	  zdiff = fabs(field[b][jm][jl][jk] - reference[b][jm][jl][jk]);
+	  zdiff = fabs(v_field[b*nclv*nlev*nlon+jm*nlev*nlon+jl*nlon+jk] - v_ref[b*nclv*nlev*nlon+jm*nlev*nlon+jl*nlon+jk]);
 	  zmaxerr = fmax(zmaxerr, zdiff);
 	  zerrsum = zerrsum + zdiff;
-	  zsum = zsum + abs(reference[b][jm][jl][jk]);
+	  zsum = zsum + abs(v_ref[b*nclv*nlev*nlon+jm*nlev*nlon+jl*nlon+jk]);
 	}
       }
     }
-  }
+  }  
   zavgpgp = zerrsum / (double) ngptot;
   print_error(name, zminval, zmaxval, zmaxerr, zerrsum, zsum, zavgpgp, 2);
 }