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LAMMPS: set $LD_PRELOAD for testing CUDA build without device present #4190

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LAMMPS: set $LD_PRELOAD for testing CUDA build without device present #4190

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51c1702
LAMMPS: set LD_PRELOAD for testing CUDA build without device present
laraPPr Aug 3, 2026
8448517
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laraPPr Aug 5, 2026
c819b88
add fix for test_step failure + clean-up
laraPPr Aug 12, 2026
9ed12af
add sugestion back
laraPPr Aug 12, 2026
38f267a
clean up
laraPPr Aug 12, 2026
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19 changes: 17 additions & 2 deletions easybuild/easyblocks/l/lammps.py
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Original file line number Diff line number Diff line change
Expand Up @@ -49,7 +49,7 @@
from easybuild.tools.filetools import copy_dir, copy_file, mkdir, read_file, which
from easybuild.tools.modules import get_software_root, get_software_version
from easybuild.tools.run import run_shell_cmd
from easybuild.tools.systemtools import AARCH64, get_cpu_architecture, get_shared_lib_ext, get_avail_core_count
from easybuild.tools.systemtools import AARCH64, get_cpu_architecture, get_shared_lib_ext, get_avail_core_count, get_gpu_info
from easybuild.tools.toolchain.compiler import OPTARCH_GENERIC

from easybuild.easyblocks.generic.cmakemake import CMakeMake
Expand Down Expand Up @@ -509,6 +509,15 @@ def configure_step(self, **kwargs):
else:
self.cfg['runtest'] = False

if self.cuda:
gpus = get_gpu_info()
if 'NVIDIA' not in gpus:
ld_preload = os.getenv('LD_PRELOAD', '')
cuda_root = get_software_root('CUDA')
libcuda = cuda_root + '/stubs/lib/libcuda.so' + ':' + cuda_root + '/stubs/lib/libcuda.so.1'
ld_preload = libcuda + ":" + ld_preload
env.setvar('LD_PRELOAD', ld_preload)

return super().configure_step()

def install_step(self):
Expand Down Expand Up @@ -563,7 +572,13 @@ def test_step(self):
test_cmd = 'ctest'
if LooseVersion(self.cmake_version) >= '3.17.0':
test_cmd += ' --no-tests=error'
test_cmd += ' -LE unstable -E "TestMliapPyUnified|AtomicPairStyle:meam_spline|KSpaceStyle:scafacos.*"'
skipped_tests = "TestMliapPyUnified|AtomicPairStyle:meam_spline|KSpaceStyle:scafacos.*"
if self.cuda:
gpus = get_gpu_info()
if 'NVIDIA' not in gpus:
# These tests require libcuda.so that is not a stub
skipped_tests += "|LibraryOpen|LibraryProperties|LammpsClass|NeighborClass"
test_cmd += ' -LE unstable -E "%s"' % skipped_tests
self.log.debug(f"Running tests using test_cmd = '{test_cmd}' as test_cmd")
self.cfg['test_cmd'] = test_cmd

Expand Down
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