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207 lines
9.6 KiB
Plaintext
207 lines
9.6 KiB
Plaintext
************************************************************************
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* Using CMake to build and test HDF5 source on HPC machines *
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************************************************************************
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Contents
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Section I: Prerequisites
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Section II: Obtain HDF5 source
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Section III: Using ctest command to build and test
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Section IV: Cross compiling
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Section V: Manual alternatives
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Section VI: Other cross compiling options
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************************************************************************
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========================================================================
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I. Prerequisites
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========================================================================
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1. Create a working directory that is accessible from the compute nodes for
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running tests; the working directory should be in a scratch space or a
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parallel file system space since testing will use this space. Building
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from HDF5 source in a 'home' directory typically results in test
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failures and should be avoided.
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2. Load modules for desired compilers, module for cmake version 3.18 or greater,
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and set any needed environment variables for compilers (i.e., CC, FC, CXX).
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Unload any problematic modules (i.e., craype-hugepages2M).
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========================================================================
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II. Obtain HDF5 source
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========================================================================
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Obtain HDF5 source code from the HDF5 repository using a git command or
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from a release tar file in a working directory:
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git clone https://github.com/HDFGroup/hdf5.git
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[-b branch] [source directory]
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If no branch is specified, then the 'develop' version will be checked out.
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If no source directory is specified, then the source will be located in the
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'hdf5' directory. The CMake scripts expect the source to be in a directory
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named hdf5-<version string>, where 'version string' uses the format '1.xx.xx'.
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For example, for the current 'develop' version, the "hdf5" directory should
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be renamed "hdf5-1.13.0", or for the first hdf5_1_12_0 pre-release version,
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it should be renamed "hdf5-1.12.0-5".
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If the version number is not known a priori, the version string
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can be obtained by running bin/h5vers in the top level directory of the source clone, and
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the source directory renamed 'hdf5-<version string>'.
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Release or snapshot tar files may also be extracted and used.
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========================================================================
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III. Using ctest command to build and test
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========================================================================
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The ctest command [1]:
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ctest -S HDF5config.cmake,BUILD_GENERATOR=Unix -C Release -V -O hdf5.log
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will configure, build, test and package HDF5 from the downloaded source
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after the setup steps outlined below are followed.
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CMake option variables are available to allow running test programs in batch
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scripts on compute nodes and to cross-compile for compute node hardware using
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a cross-compiling emulator. The setup steps will make default settings for
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parallel or serial only builds available to the CMake command.
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1. For the current 'develop' version the "hdf5" directory should be renamed
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"hdf5-1.13.0".
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2. Three cmake script files need to be copied to the working directory, or
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have symbolic links to them, created in the working directory:
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hdf5-1.13.0/config/cmake/scripts/HDF5config.cmake
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hdf5-1.13.0/config/cmake/scripts/CTestScript.cmake
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hdf5-1.13.0/config/cmake/scripts/HDF5options.cmake
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should be copied to the working directory.
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3. The resulting contents of the working directory are then:
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CTestScript.cmake
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HDF5config.cmake
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HDF5options.cmake
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hdf5-1.13.0
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Additionally, when the ctest command runs [1], it will add a build directory
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in the working directory.
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4. The following options (among others) can be added to the ctest
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command [1], following '-S HDF5config.cmake,' and separated by ',':
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HPC=sbatch (or 'bsub' or 'raybsub') indicates which type of batch
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files to use for running tests. If omitted, test
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will run on the local machine or login node.
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KNL=true to cross-compile for KNL compute nodes on CrayXC40
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(see section IV)
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MPI=true enables parallel, disables c++, java, and threadsafe
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LOCAL_BATCH_SCRIPT_ARGS="--account=<account#>" to supply user account
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information for batch jobs
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The HPC options will add BUILD_GENERATOR=Unix for the three HPC options.
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An example ctest command for a parallel build on a system using sbatch is
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ctest -S HDF5config.cmake,HPC=sbatch,MPI=true -C Release -V -O hdf5.log
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Adding the option 'KNL=true' to the above list will compile for KNL nodes,
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for example, on 'mutrino' and other CrayXC40 machines.
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Changing -V to -VV will produce more logging information in HDF5.log.
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More detailed CMake information can be found in the HDF5 source in
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release_docs/INSTALL_CMake.txt.
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========================================================================
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IV. Cross-compiling
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========================================================================
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For cross-compiling on Cray, set environment variables CC=cc, FC=ftn
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and CXX=CC (for c++) after all compiler modules are loaded since switching
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compiler modules may unset or reset these variables.
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CMake provides options for cross-compiling. To cross-compile for KNL hardware
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on mutrino and other CrayXC40 machines, add HPC=sbatch,KNL=true to the
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ctest command line. This will set the following options from the
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config/cmake/scripts/HPC/sbatch-HDF5options.cmake file:
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set (COMPILENODE_HWCOMPILE_MODULE "craype-haswell")
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set (COMPUTENODE_HWCOMPILE_MODULE "craype-mic-knl")
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set (LOCAL_BATCH_SCRIPT_NAME "knl_ctestS.sl")
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set (LOCAL_BATCH_SCRIPT_PARALLEL_NAME "knl_ctestP.sl")
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set (ADD_BUILD_OPTIONS "${ADD_BUILD_OPTIONS} -DCMAKE_TOOLCHAIN_FILE:STRING=config/toolchain/crayle.cmake")
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On the Cray XC40 the craype-haswell module is needed for configuring, and the
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craype-mic-knl module is needed for building to run on the KNL nodes. CMake
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with the above options will swap modules after configuring is complete,
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but before compiling programs for KNL.
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The sbatch script arguments for running jobs on KNL nodes may differ on CrayXC40
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machines other than mutrino. The batch scripts knl_ctestS.sl and knl_ctestP.sl
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have the correct arguments for mutrino: "#SBATCH -p knl -C quad,cache". For
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cori, another CrayXC40, that line is replaced by "#SBATCH -C knl,quad,cache".
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For cori (and other machines), the values in LOCAL_BATCH_SCRIPT_NAME and
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LOCAL_BATCH_SCRIPT_PARALLEL_NAME in the config/cmake/scripts/HPC/sbatch-HDF5options.cmake
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file can be replaced by cori_knl_ctestS.sl and cori_knl_ctestS.sl, or the lines
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can be edited in the batch files in hdf5-1.13.0/bin/batch.
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========================================================================
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V. Manual alternatives
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========================================================================
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If using ctest is undesirable, one can create a build directory and run the cmake
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configure command, for example
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"/projects/Mutrino/hpcsoft/cle6.0/common/cmake/3.18/bin/cmake"
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-C "<working directory>/hdf5-1.13.3/config/cmake/cacheinit.cmake"
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-DCMAKE_BUILD_TYPE:STRING=Release -DHDF5_BUILD_FORTRAN:BOOL=ON
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-DHDF5_BUILD_JAVA:BOOL=OFF
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-DCMAKE_INSTALL_PREFIX:PATH=<working directory>/HDF_Group/HDF5/1.13.3
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-DHDF5_ENABLE_Z_LIB_SUPPORT:BOOL=OFF -DHDF5_ENABLE_SZIP_SUPPORT:BOOL=OFF
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-DHDF5_ENABLE_PARALLEL:BOOL=ON -DHDF5_BUILD_CPP_LIB:BOOL=OFF
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-DHDF5_BUILD_JAVA:BOOL=OFF -DHDF5_ENABLE_THREADSAFE:BOOL=OFF
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-DHDF5_PACKAGE_EXTLIBS:BOOL=ON -DLOCAL_BATCH_TEST:BOOL=ON
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-DMPIEXEC_EXECUTABLE:STRING=srun -DMPIEXEC_NUMPROC_FLAG:STRING=-n
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-DMPIEXEC_MAX_NUMPROCS:STRING=6
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-DCMAKE_TOOLCHAIN_FILE:STRING=config/toolchain/crayle.cmake
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-DLOCAL_BATCH_SCRIPT_NAME:STRING=knl_ctestS.sl
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-DLOCAL_BATCH_SCRIPT_PARALLEL_NAME:STRING=knl_ctestP.sl -DSITE:STRING=mutrino
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-DBUILDNAME:STRING=par-knl_GCC493-SHARED-Linux-4.4.156-94.61.1.16335.0.PTF.1107299-default-x86_64
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"-GUnix Makefiles" "" "<working directory>/hdf5-1.13.3"
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followed by make and batch jobs to run tests.
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To cross-compile on CrayXC40, run the configure command with the craype-haswell
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module loaded, then switch to the craype-mic-knl module for the build process.
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Tests on machines using slurm can be run with
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"sbatch -p knl -C quad,cache ctestS.sl"
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or
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"sbatch -p knl -C quad,cache ctestP.sl"
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for parallel builds.
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Tests on machines using LSF will typically use "bsub ctestS.lsf", etc.
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========================================================================
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VI. Other cross compiling options
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========================================================================
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Settings for two other cross-compiling options are also in the config/toolchain
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files which do not seem to be necessary with the Cray PrgEnv-* modules
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1. HDF5_USE_PREGEN. This option, along with the HDF5_USE_PREGEN_DIR CMake
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variable would allow the use of an appropriate H5Tinit.c file with type
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information generated on a compute node to be used when cross compiling
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for those compute nodes. The use of the variables in lines 110 and 111
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of HDF5options.cmake file seem to preclude needing this option with the
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available Cray modules and CMake option.
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2. HDF5_BATCH_H5DETECT and associated CMake variables. This option when
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properly configured will run H5detect in a batch job on a compute node
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at the beginning of the CMake build process. It was also found to be
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unnecessary with the available Cray modules and CMake options.
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