Skip to content

Make cdft lib compilation optional for Intel MKL, by detecting MPI availability #1393

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Merged
boegel merged 5 commits into from
Jul 2, 2018
Merged

Make cdft lib compilation optional for Intel MKL, by detecting MPI availability #1393

Changes from 4 commits
Commits
Show all changes
5 commits
Select commit Hold shift + click to select a range
c9ffe6a
Make cdft lib compilation optional, by detecting MPI availability.
bartoldeman Mar 28, 2018
7a34a18
Fix style issues as suggested by @boegel.
bartoldeman May 25, 2018
347aa50
Initialize self.mpi_spec and self.cdftlibs in __init__.
bartoldeman May 25, 2018
dae5f8a
Improve debug reporting for CDFT build.
bartoldeman May 25, 2018
a70eda7
Move mpi_spec/cdftlibs logic to prepare_step, except for initialization.
bartoldeman Jun 29, 2018
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
92 changes: 51 additions & 41 deletions easybuild/easyblocks/i/imkl.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -71,6 +71,38 @@ def __init__(self, *args, **kwargs):
# make sure $MKLROOT isn't set, it's known to cause problems with the installation
self.cfg.update('unwanted_env_vars', ['MKLROOT'])

# build the mkl interfaces, if desired
if self.cfg['interfaces']:
Copy link
Member

@boegel boegel May 22, 2018

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

@bartoldeman One more minor style issues: add an empty line above (and maybe also a comment explaining what's going on in the block below)

self.cdftlibs = ['fftw2x_cdft']
if LooseVersion(self.version) >= LooseVersion('10.3'):
self.cdftlibs.append('fftw3x_cdft')
self.mpi_spec = None
# check whether MPI_FAMILY constant is defined, so mpi_family() can be used
if hasattr(self.toolchain, 'MPI_FAMILY') and self.toolchain.MPI_FAMILY is not None:
mpi_spec_by_fam = {
toolchain.MPICH: 'mpich2', # MPICH is MPICH v3.x, which is MPICH2 compatible
toolchain.MPICH2: 'mpich2',
toolchain.MVAPICH2: 'mpich2',
toolchain.OPENMPI: 'openmpi',
}
mpi_fam = self.toolchain.mpi_family()
self.mpi_spec = mpi_spec_by_fam.get(mpi_fam)
debugstr = "MPI toolchain component"
else:
# can't use toolchain.mpi_family, because of dummy toolchain
if get_software_root('MPICH2') or get_software_root('MVAPICH2'):
self.mpi_spec = 'mpich2'
elif get_software_root('OpenMPI'):
self.mpi_spec = 'openmpi'
elif not get_software_root('impi'):
Copy link
Member

@boegel boegel Jun 21, 2018

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

@bartoldeman At this point, the modules for the dependencies are not loaded yet (that's done in prepare_step), so each of these get_software_root calls will return None...

We should initialize self.cdftlibs and self.mpi_spec in __init__, and move this whole block to prepare_step, after the super(EB_imkl, self).prepare_step call

# no compatible MPI found: do not build cdft
self.cdftlibs = []
debugstr = "loaded MPI module"
if self.mpi_spec:
self.log.debug("Determined MPI specification based on %s: %s", debugstr, self.mpi_spec)
else:
self.log.debug("No MPI or no compatible MPI found: do not build CDFT")

def prepare_step(self, *args, **kwargs):
if LooseVersion(self.version) >= LooseVersion('2017.2.174'):
kwargs['requires_runtime_license'] = False
Expand Down Expand Up @@ -218,9 +250,6 @@ def post_install_step(self):
# blas95 and lapack also need include/.mod to be processed
fftw2libs = ['fftw2xc', 'fftw2xf']
fftw3libs = ['fftw3xc', 'fftw3xf']
cdftlibs = ['fftw2x_cdft']
if LooseVersion(self.version) >= LooseVersion('10.3'):
cdftlibs.append('fftw3x_cdft')

interfacedir = os.path.join(self.installdir, intsubdir)
try:
Expand Down Expand Up @@ -257,44 +286,24 @@ def post_install_step(self):
('-Wall', ''),
('-Werror', ''),
]
for lib in cdftlibs:
for lib in self.cdftlibs:
apply_regex_substitutions(os.path.join(interfacedir, lib, 'makefile'), regex_subs)

for lib in fftw2libs + fftw3libs + cdftlibs:
for lib in fftw2libs + fftw3libs + self.cdftlibs:
buildopts = [compopt]
if lib in fftw3libs:
buildopts.append('install_to=$INSTALL_DIR')
elif lib in cdftlibs:
mpi_spec = None
# check whether MPI_FAMILY constant is defined, so mpi_family() can be used
if hasattr(self.toolchain, 'MPI_FAMILY') and self.toolchain.MPI_FAMILY is not None:
mpi_spec_by_fam = {
toolchain.MPICH: 'mpich2', # MPICH is MPICH v3.x, which is MPICH2 compatible
toolchain.MPICH2: 'mpich2',
toolchain.MVAPICH2: 'mpich2',
toolchain.OPENMPI: 'openmpi',
}
mpi_fam = self.toolchain.mpi_family()
mpi_spec = mpi_spec_by_fam.get(mpi_fam)
self.log.debug("Determined MPI specification based on MPI toolchain component: %s" % mpi_spec)
else:
# can't use toolchain.mpi_family, because of dummy toolchain
if get_software_root('MPICH2') or get_software_root('MVAPICH2'):
mpi_spec = 'mpich2'
elif get_software_root('OpenMPI'):
mpi_spec = 'openmpi'
self.log.debug("Determined MPI specification based on loaded MPI module: %s" % mpi_spec)

if mpi_spec is not None:
buildopts.append('mpi=%s' % mpi_spec)
elif lib in self.cdftlibs:
if self.mpi_spec is not None:
buildopts.append('mpi=%s' % self.mpi_spec)

precflags = ['']
if lib.startswith('fftw2x') and not self.cfg['m32']:
# build both single and double precision variants
precflags = ['PRECISION=MKL_DOUBLE', 'PRECISION=MKL_SINGLE']

intflags = ['']
if lib in cdftlibs and not self.cfg['m32']:
if lib in self.cdftlibs and not self.cfg['m32']:
# build both 32-bit and 64-bit interfaces
intflags = ['interface=lp64', 'interface=ilp64']

Expand Down Expand Up @@ -374,19 +383,20 @@ def sanity_check_step(self):
pics = ['', '_pic']
libs = ['libfftw%s%s%s.a' % (fftwver, compsuff, pic) for fftwver in fftw_vers for pic in pics]

fftw_cdft_vers = ['2x_cdft_DOUBLE']
if not self.cfg['m32']:
fftw_cdft_vers.append('2x_cdft_SINGLE')
if ver >= LooseVersion('10.3'):
fftw_cdft_vers.append('3x_cdft')
if ver >= LooseVersion('11.0.2'):
bits = ['_lp64']
if self.cdftlibs:
fftw_cdft_vers = ['2x_cdft_DOUBLE']
if not self.cfg['m32']:
bits.append('_ilp64')
else:
# no bits suffix in cdft libs before imkl v11.0.2
bits = ['']
libs += ['libfftw%s%s%s.a' % x for x in itertools.product(fftw_cdft_vers, bits, pics)]
fftw_cdft_vers.append('2x_cdft_SINGLE')
if ver >= LooseVersion('10.3'):
fftw_cdft_vers.append('3x_cdft')
if ver >= LooseVersion('11.0.2'):
bits = ['_lp64']
if not self.cfg['m32']:
bits.append('_ilp64')
else:
# no bits suffix in cdft libs before imkl v11.0.2
bits = ['']
libs += ['libfftw%s%s%s.a' % x for x in itertools.product(fftw_cdft_vers, bits, pics)]

if ver >= LooseVersion('10.3'):
if self.cfg['m32']:
Expand Down