admin/builds/gromacs.py

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  34
  35 import os.path
  36
  37 extra_options = {
  38     'mdrun-only': Option.simple,
  39     'static': Option.simple,
  40     'reference': Option.simple,
  41     'release': Option.simple,
  42     'release-with-debug-info': Option.simple,
  43     'asan': Option.simple,
  44     'mkl': Option.simple,
  45     'fftpack': Option.simple,
  46     'double': Option.simple,
  47     'thread-mpi': Option.bool,
  48     'gpu': Option.bool,
  49     'openmp': Option.bool
  50 }
  51 extra_projects = [Project.REGRESSIONTESTS]
  52
  53 def do_build(context):
  54     cmake_opts = dict()
  55     cmake_opts['GMX_COMPILER_WARNINGS'] = 'ON'
  56     cmake_opts['GMX_DEFAULT_SUFFIX'] = 'OFF'
  57     cmake_opts['CMAKE_BUILD_TYPE'] = 'Debug'
  58
  59     if context.opts.reference:
  60         cmake_opts['CMAKE_BUILD_TYPE'] = 'Reference'
  61     elif context.opts.release:
  62         cmake_opts['CMAKE_BUILD_TYPE'] = 'RelWithAssert'
  63     elif context.opts['release-with-debug-info']:
  64         cmake_opts['CMAKE_BUILD_TYPE'] = 'RelWithDebInfo'
  65     elif context.opts.asan:
  66         cmake_opts['CMAKE_BUILD_TYPE'] = 'ASAN'
  67     elif context.opts.tsan:
  68         cmake_opts['CMAKE_BUILD_TYPE'] = 'TSAN'
  69
  70     if context.opts.static:
  71         cmake_opts['BUILD_SHARED_LIBS'] = 'OFF'
  72
  73     if context.opts.phi:
  74         cmake_opts['CMAKE_TOOLCHAIN_FILE'] = 'Platform/XeonPhi'
  75
  76     if context.opts.double:
  77         cmake_opts['GMX_DOUBLE'] = 'ON'
  78
  79     if context.opts.simd is None:
  80         cmake_opts['GMX_SIMD'] = 'None'
  81     else:
  82         cmake_opts['GMX_SIMD'] = context.opts.simd
  83     if context.opts.gpu:
  84         cmake_opts['GMX_GPU'] = 'ON'
  85         cmake_opts.update(context.get_cuda_cmake_options())
  86     else:
  87         cmake_opts['GMX_GPU'] = 'OFF'
  88     if context.opts.thread_mpi is False:
  89         cmake_opts['GMX_THREAD_MPI'] = 'OFF'
  90     if context.opts.mpi:
  91         cmake_opts['GMX_MPI'] = 'ON'
  92     if context.opts.openmp is False:
  93         cmake_opts['GMX_OPENMP'] = 'OFF'
  94
  95     if context.opts.mkl:
  96         cmake_opts['GMX_FFT_LIBRARY'] = 'mkl'
  97     elif context.opts.fftpack:
  98         cmake_opts['GMX_FFT_LIBRARY'] = 'fftpack'
  99     if context.opts.mkl or context.opts.atlas:
 100         cmake_opts['GMX_EXTERNAL_BLAS'] = 'ON'
 101         cmake_opts['GMX_EXTERNAL_LAPACK'] = 'ON'
 102
 103     if context.opts.x11:
 104         cmake_opts['GMX_X11'] = 'ON'
 105
 106     if context.job_type == JobType.RELEASE:
 107         # TODO: Consider using REGRESSIONTEST_DOWNLOAD here, after refactoring
 108         # it to make that possible.  Or use some other mechanism to check the
 109         # MD5 of the regressiontests tarball (also taking into account the -dev
 110         # builds where the hardcoded value in gmxVersionInfo.cmake is not
 111         # accurate).
 112         cmake_opts['REGRESSIONTEST_PATH'] = context.workspace.get_project_dir(Project.REGRESSIONTESTS)
 113     else:
 114         if context.opts.mdrun_only:
 115             cmake_opts['GMX_BUILD_MDRUN_ONLY'] = 'ON'
 116
 117     context.env.set_env_var('GMX_NO_TERM', '1')
 118
 119     context.run_cmake(cmake_opts)
 120     context.build_target(target=None, keep_going=True)
 121
 122     # TODO: Consider if it would be better to split this into a separate build
 123     # script, since it is somewhat different, even though it benefits from some
 124     # of the same build options.
 125     if context.job_type == JobType.RELEASE:
 126         context.build_target(target='check', keep_going=True)
 127         context.build_target(target='install')
 128         if context.opts.mdrun_only:
 129             context.workspace.clean_build_dir()
 130             cmake_opts['REGRESSIONTEST_PATH'] = None
 131             cmake_opts['GMX_BUILD_MDRUN_ONLY'] = 'ON'
 132             context.run_cmake(cmake_opts)
 133             context.build_target(target=None, keep_going=True)
 134             context.build_target(target='check', keep_going=True)
 135             context.build_target(target='install')
 136         # TODO: Run regression tests against the installed version.
 137         # TODO: Add testing for building the template.
 138         # TODO: Generalize the machinery here such that it can easily be used
 139         # also for non-release builds.
 140     else:
 141         context.build_target(target='tests', keep_going=True)
 142
 143         context.run_ctest(args=['--output-on-failure'])
 144
 145         if not context.opts.mdrun_only:
 146             context.env.prepend_path_env(os.path.join(context.workspace.build_dir, 'bin'))
 147             context.chdir(context.workspace.get_project_dir(Project.REGRESSIONTESTS))
 148
 149             if not context.opts.mpi and context.opts.thread_mpi is not False:
 150                 use_tmpi = True
 151
 152             cmd = 'perl gmxtest.pl -mpirun mpirun -xml -nosuffix all'
 153             if context.opts.asan:
 154                 cmd+=' -parse asan_symbolize.py'
 155
 156             # setting this stuff below is just a temporary solution,
 157             # it should all be passed as a proper the runconf from outside
 158             # The whole mechanism should be rethought in #1587.
 159             if context.opts.phi:
 160                 cmd += ' -ntomp 28'
 161             elif context.opts.openmp:
 162                 # OpenMP should always work when compiled in! Currently not set if
 163                 # not explicitly set
 164                 cmd += ' -ntomp 2'
 165
 166             if context.opts.gpu:
 167                 if context.opts.mpi or use_tmpi:
 168                     gpu_id = '01' # for (T)MPI use the two GT 640-s
 169                 else:
 170                     gpu_id = '0' # use GPU #0 by default
 171                 cmd += ' -gpu_id ' + gpu_id
 172
 173             # TODO: Add options to influence this (should be now local to the build
 174             # script).
 175             if context.opts.mpi:
 176                 cmd += ' -np 2'
 177             elif use_tmpi:
 178                 cmd += ' -nt 2'
 179             if context.opts.double:
 180                 cmd += ' -double'
 181             context.run_cmd(cmd, shell=True, failure_message='Regression tests failed to execute')