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disable CPU-specific optimizations for generic builds (by using a custom processor_arch) in LAMMPS easyblock #3484

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Merged
boegel merged 8 commits into from
Oct 20, 2024
Merged

disable CPU-specific optimizations for generic builds (by using a custom processor_arch) in LAMMPS easyblock #3484

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64bc644
set processor_arch to EASYBUILD_GENERIC for generic builds
bedroge Oct 14, 2024
3c3fd7a
remove textwrap import
bedroge Oct 14, 2024
64060fa
add exception for Arm and add some comments
bedroge Oct 14, 2024
520714e
Update easybuild/easyblocks/l/lammps.py
bedroge Oct 18, 2024
4ee671a
Update easybuild/easyblocks/l/lammps.py
bedroge Oct 18, 2024
502a2bc
Update easybuild/easyblocks/l/lammps.py
bedroge Oct 18, 2024
bf14cbb
Update easybuild/easyblocks/l/lammps.py
bedroge Oct 18, 2024
2d160c3
use fancylogger.getLogger to be able to print to the log
bedroge Oct 18, 2024
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23 changes: 21 additions & 2 deletions easybuild/easyblocks/l/lammps.py
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Original file line number Diff line number Diff line change
Expand Up @@ -39,13 +39,15 @@

import easybuild.tools.environment as env
import easybuild.tools.toolchain as toolchain
from easybuild.base import fancylogger
from easybuild.framework.easyconfig import CUSTOM, MANDATORY
from easybuild.tools.build_log import EasyBuildError, print_warning, print_msg
from easybuild.tools.config import build_option
from easybuild.tools.filetools import copy_dir, mkdir
from easybuild.tools.modules import get_software_root, get_software_version
from easybuild.tools.run import run_cmd
from easybuild.tools.systemtools import get_shared_lib_ext
from easybuild.tools.systemtools import AARCH64, get_cpu_architecture, get_shared_lib_ext
from easybuild.tools.toolchain.compiler import OPTARCH_GENERIC

from easybuild.easyblocks.generic.cmakemake import CMakeMake

Expand Down Expand Up @@ -153,6 +155,8 @@
# lammps version, which caused the most changes. This may not be precise, but it does work with existing easyconfigs
ref_version = '29Sep2021'

_log = fancylogger.getLogger('easyblocks.lammps')


def translate_lammps_version(version):
"""Translate the LAMMPS version into something that can be used in a comparison"""
Expand Down Expand Up @@ -579,7 +583,22 @@ def get_kokkos_arch(kokkos_cpu_mapping, cuda_cc, kokkos_arch, cuda=None):

processor_arch = None

if kokkos_arch:
if build_option('optarch') == OPTARCH_GENERIC:
# For generic Arm builds we use an existing target;
# this ensures that KOKKOS_ARCH_ARM_NEON is enabled (Neon is required for armv8-a).
# For other architectures we set a custom/non-existent type, which will disable all optimizations,
# and it should use the compiler (optimization) flags set by EasyBuild for this architecture.
if get_cpu_architecture() == AARCH64:
processor_arch = 'ARMV80'
else:
processor_arch = 'EASYBUILD_GENERIC'

_log.info("Generic build requested, setting CPU ARCH to %s." % processor_arch)
if kokkos_arch:
msg = "The specified kokkos_arch (%s) will be ignored " % kokkos_arch
msg += "because a generic build was requested (via --optarch=GENERIC)"
print_warning(msg)
elif kokkos_arch:
if kokkos_arch not in KOKKOS_CPU_ARCH_LIST:
warning_msg = "Specified CPU ARCH (%s) " % kokkos_arch
warning_msg += "was not found in listed options [%s]." % KOKKOS_CPU_ARCH_LIST
Expand Down