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dbcsr: added rocm support (#20835)

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Co-authored-by: Tiziano Müller <tm@dev-zero.ch>
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Harmen Stoppels 2021-01-13 15:54:23 +01:00 committed by GitHub
parent b9dfda19c1
commit 3f1c264148
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1 changed files with 39 additions and 16 deletions
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55
var/spack/repos/builtin/packages/dbcsr/package.py
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@ -6,7 +6,7 @@
from spack import * from spack import *
class Dbcsr(CMakePackage, CudaPackage): class Dbcsr(CMakePackage, CudaPackage, ROCmPackage):
"""Distributed Block Compressed Sparse Row matrix library.""" """Distributed Block Compressed Sparse Row matrix library."""
homepage = "https://github.com/cp2k/dbcsr" homepage = "https://github.com/cp2k/dbcsr"
@ -36,10 +36,12 @@ class Dbcsr(CMakePackage, CudaPackage):
depends_on('pkgconfig', type='build') depends_on('pkgconfig', type='build')
depends_on('python@3.6:', type='build', when='+cuda') depends_on('python@3.6:', type='build', when='+cuda')
# We only support specific cuda_archs for which we have parameter files depends_on('hipblas', when='+rocm')
# 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 # We only support specific gpu archs for which we have parameter files
# versions. Instead just mark all unsupported cuda archs as conflicting. # for optimal kernels. Note that we don't override the parent class arch
# properties, since the parent class defines constraints for different archs
# Instead just mark all unsupported cuda archs as conflicting.
dbcsr_cuda_archs = ('35', '37', '60', '70') dbcsr_cuda_archs = ('35', '37', '60', '70')
cuda_msg = 'dbcsr only supports cuda_arch {0}'.format(dbcsr_cuda_archs) cuda_msg = 'dbcsr only supports cuda_arch {0}'.format(dbcsr_cuda_archs)
@ -49,6 +51,20 @@ class Dbcsr(CMakePackage, CudaPackage):
conflicts('+cuda', when='cuda_arch=none', msg=cuda_msg) conflicts('+cuda', when='cuda_arch=none', msg=cuda_msg)
dbcsr_amdgpu_targets = ('gfx906')
amd_msg = 'DBCSR only supports amdgpu_target {0}'.format(dbcsr_amdgpu_targets)
for arch in ROCmPackage.amdgpu_targets:
if arch not in dbcsr_amdgpu_targets:
conflicts('+rocm', when='amdgpu_target={0}'.format(arch), msg=amd_msg)
conflicts('+cuda', when='+rocm', msg="CUDA and ROCm are mutually exclusive")
conflicts('+rocm', when='@:2.0', msg="ROCm support is available in DBCSR v2.1 and later")
# Require openmp threading for OpenBLAS by making other options conflict
conflicts('^openblas threads=pthreads', when='+openmp')
conflicts('^openblas threads=none', when='+openmp')
generator = 'Ninja' generator = 'Ninja'
depends_on('ninja@1.10:', type='build') depends_on('ninja@1.10:', type='build')
@ -58,28 +74,26 @@ def cmake_args(self):
if len(spec.variants['cuda_arch'].value) > 1: if len(spec.variants['cuda_arch'].value) > 1:
raise InstallError("dbcsr supports only one cuda_arch at a time") raise InstallError("dbcsr supports only one cuda_arch at a time")
if ('+openmp' in self.spec if len(spec.variants['amdgpu_target'].value) > 1:
and '^openblas' in self.spec raise InstallError("DBCSR supports only one amdgpu_arch at a time")
and '^openblas threads=openmp' not in self.spec):
raise InstallError(
'^openblas threads=openmp required for dbcsr+openmp')
args = [ args = [
'-DUSE_SMM=%s' % ('libxsmm' if 'smm=libxsmm' in spec else 'blas'), '-DUSE_SMM=%s' % ('libxsmm' if 'smm=libxsmm' in spec else 'blas'),
'-DUSE_MPI=%s' % ('ON' if '+mpi' in spec else 'OFF'), self.define_from_variant('USE_MPI', 'mpi'),
'-DUSE_OPENMP=%s' % ( self.define_from_variant('USE_OPENMP', 'openmp'),
'ON' if '+openmp' in spec else 'OFF'),
# C API needs MPI # C API needs MPI
'-DWITH_C_API=%s' % ('ON' if '+mpi' in spec else 'OFF'), self.define_from_variant('WITH_C_API', 'mpi'),
'-DBLAS_FOUND=true', '-DBLAS_FOUND=true',
'-DBLAS_LIBRARIES=%s' % (spec['blas'].libs.joined(';')), '-DBLAS_LIBRARIES=%s' % (spec['blas'].libs.joined(';')),
'-DLAPACK_FOUND=true', '-DLAPACK_FOUND=true',
'-DLAPACK_LIBRARIES=%s' % (spec['lapack'].libs.joined(';')), '-DLAPACK_LIBRARIES=%s' % (spec['lapack'].libs.joined(';')),
'-DWITH_EXAMPLES=ON', '-DWITH_EXAMPLES=ON',
'-DBUILD_SHARED_LIBS=%s' % ('ON' if '+shared' in spec else 'OFF'), self.define_from_variant('BUILD_SHARED_LIBS', 'shared'),
self.define_from_variant('USE_HIP', 'rocm'),
self.define_from_variant('USE_CUDA', 'cuda'),
] ]
if '+cuda' in self.spec: if self.spec.satisfies('+cuda'):
cuda_arch = self.spec.variants['cuda_arch'].value[0] cuda_arch = self.spec.variants['cuda_arch'].value[0]
gpuver = { gpuver = {
@ -95,6 +109,15 @@ def cmake_args(self):
args += ['-DWITH_GPU=%s' % gpuver] args += ['-DWITH_GPU=%s' % gpuver]
if self.spec.satisfies('+rocm'):
amd_arch = self.spec.variants['amdgpu_target'].value[0]
gpuver = {
'gfx906': 'Mi50'
}[amd_arch]
args += ['-DWITH_GPU={0}'.format(gpuver)]
return args return args
def check(self): def check(self):