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dbcsr, cp2k: fix cuda arch conflicts in asp concretizer (#20784)

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Harmen Stoppels 2021-01-12 18:01:32 +01:00 committed by GitHub
parent ecc59de51d
commit 1d7babe955
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GPG Key ID: 4AEE18F83AFDEB23
2 changed files with 35 additions and 17 deletions
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26
var/spack/repos/builtin/packages/cp2k/package.py
View File

@ -52,14 +52,6 @@ class Cp2k(MakefilePackage, CudaPackage):
' and BQB compression'))
variant('spglib', default=False, description='Enable support for spglib')
# override cuda_arch from CudaPackage since we only support one arch
# at a time and only specific ones for which we have parameter files
# for optimal kernels
variant('cuda_arch',
description='CUDA architecture',
default='none',
values=('none', '35', '37', '60', '70'),
multi=False)
variant('cuda_arch_35_k20x', default=False,
description=('CP2K (resp. DBCSR) has specific parameter sets for'
' different GPU models. Enable this when building'
@ -169,6 +161,19 @@ class Cp2k(MakefilePackage, CudaPackage):
conflicts('~openmp', when='@8:', msg='Building without OpenMP is not supported in CP2K 8+')
# We only support specific cuda_archs for which we have parameter files
# for optimal kernels. Note that we don't override the cuda_archs property
# from the parent class, since the parent class defines constraints for all
# versions. Instead just mark all unsupported cuda archs as conflicting.
dbcsr_cuda_archs = ('35', '37', '60', '70')
cuda_msg = 'cp2k only supports cuda_arch {0}'.format(dbcsr_cuda_archs)
for arch in CudaPackage.cuda_arch_values:
if arch not in dbcsr_cuda_archs:
conflicts('+cuda', when='cuda_arch={0}'.format(arch), msg=cuda_msg)
conflicts('+cuda', when='cuda_arch=none', msg=cuda_msg)
@property
def makefile_architecture(self):
return '{0.architecture}-{0.compiler.name}'.format(self.spec)
@ -448,7 +453,7 @@ def edit(self, spec, prefix):
cppflags += ['-D__PW_CUDA']
libs += ['-lcufft', '-lcublas']
cuda_arch = spec.variants['cuda_arch'].value
cuda_arch = spec.variants['cuda_arch'].value[0]
if cuda_arch:
gpuver = {
'35': 'K40',
@ -581,6 +586,9 @@ def build_targets(self):
]
def build(self, spec, prefix):
if len(spec.variants['cuda_arch'].value) > 1:
raise InstallError("cp2k supports only one cuda_arch at a time")
# Apparently the Makefile bases its paths on PWD
# so we need to set PWD = self.build_directory
with spack.util.environment.set_env(PWD=self.build_directory):

26
var/spack/repos/builtin/packages/dbcsr/package.py
View File

@ -21,11 +21,6 @@ class Dbcsr(CMakePackage, CudaPackage):
variant('shared', default=True, description='Build shared library')
variant('smm', default='libxsmm', values=('libxsmm', 'blas'),
description='Library for small matrix multiplications')
variant('cuda_arch',
description='CUDA architecture',
default='none',
values=('none', '35', '37', '60', '70'),
multi=False)
variant('cuda_arch_35_k20x', default=False,
description=('CP2K (resp. DBCSR) has specific parameter sets for'
' different GPU models. Enable this when building'
@ -41,19 +36,34 @@ class Dbcsr(CMakePackage, CudaPackage):
depends_on('pkgconfig', type='build')
depends_on('python@3.6:', type='build', when='+cuda')
conflicts('+cuda', when='cuda_arch=none')
# We only support specific cuda_archs for which we have parameter files
# for optimal kernels. Note that we don't override the cuda_archs property
# from the parent class, since the parent class defines constraints for all
# versions. Instead just mark all unsupported cuda archs as conflicting.
dbcsr_cuda_archs = ('35', '37', '60', '70')
cuda_msg = 'dbcsr only supports cuda_arch {0}'.format(dbcsr_cuda_archs)
for arch in CudaPackage.cuda_arch_values:
if arch not in dbcsr_cuda_archs:
conflicts('+cuda', when='cuda_arch={0}'.format(arch), msg=cuda_msg)
conflicts('+cuda', when='cuda_arch=none', msg=cuda_msg)
generator = 'Ninja'
depends_on('ninja@1.10:', type='build')
def cmake_args(self):
spec = self.spec
if len(spec.variants['cuda_arch'].value) > 1:
raise InstallError("dbcsr supports only one cuda_arch at a time")
if ('+openmp' in self.spec
and '^openblas' in self.spec
and '^openblas threads=openmp' not in self.spec):
raise InstallError(
'^openblas threads=openmp required for dbcsr+openmp')
spec = self.spec
args = [
'-DUSE_SMM=%s' % ('libxsmm' if 'smm=libxsmm' in spec else 'blas'),
'-DUSE_MPI=%s' % ('ON' if '+mpi' in spec else 'OFF'),
@ -70,7 +80,7 @@ def cmake_args(self):
]
if '+cuda' in self.spec:
cuda_arch = self.spec.variants['cuda_arch'].value
cuda_arch = self.spec.variants['cuda_arch'].value[0]
gpuver = {
'35': 'K40',