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Fix the build option for LAMMPS to actually enable MPI #9185

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Fix the build option for LAMMPS to actually enable MPI #9185

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vchuravy
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@vchuravy vchuravy commented Aug 1, 2024

giordano
giordano reviewed Aug 9, 2024
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L/LAMMPS/build_tarballs.jl
platforms, platform_dependencies = MPI.augment_platforms(platforms)
# Avoid platforms where the MPI implementation isn't supported
# OpenMPI
platforms = filter(p -> !(p["mpi"] == "openmpi" && arch(p) == "armv6l" && libc(p) == "glibc"), platforms)
platforms = filter(p -> !(p["mpi"] == "openmpi" && nbits(p) == 32), platforms)
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You don't need to filter out 32-bit platforms if you build against OpenMPI 4:

Yggdrasil/H/HDF5/build_tarballs.jl

Line 245 in 27db5ba

platforms, platform_dependencies = MPI.augment_platforms(platforms; MPItrampoline_compat="5.3.1", OpenMPI_compat="4.1.6, 5")
. However, one issue I never had the time to look at is #8211 (this compat doesn't seem to be propagated correctly)

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How does: OpenMPI_compat="4.1.6, 5" work? Do we not need to build against OpenMPI v4 and OpenMPI v5 separately?

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@giordano giordano Aug 15, 2024 •
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the compat forces the lower version as build version, for OpenMPI we don't need separate builds because the two major versions are ABI-compatible, we just have more platforms available with OpenMPI v4

giordano
giordano reviewed Aug 9, 2024
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vchuravy
vchuravy commented Aug 9, 2024
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@vchuravy vchuravy mentioned this pull request Aug 15, 2024
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@giordano

[ Info: Checking shared library lib/liblammps.so.0
ERROR: could not load library "/cache/build/yggy-amdci7-3/julialang/yggdrasil/L/LAMMPS/build/x86_64-linux-gnu-cxx11-mpi+mpitrampoline/i3ZWjkPZ/x86_64-linux-gnu-libgfortran5-cxx11-mpi+mpitrampoline/destdir/lib/liblammps.so.0"
libgfortran.so.5: cannot open shared object file: No such file or directory
┌ Warning: lib/liblammps.so.0 cannot be dlopen()'ed
└ @ BinaryBuilder.Auditor /cache/julia-buildkite-plugin/depots/e2fd9734-29d8-45cd-b0eb-59f7104f3131/packages/BinaryBuilder/mzSV7/src/Auditor.jl:173
[ Info: lib/liblammps.so.0 already has SONAME "liblammps.so.0"

any ideas?

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Uhm, maybe wrong RPATH?

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It's weird since it is just this one build with mpitrampoline cc: @eschnett

@giordano giordano mentioned this pull request Aug 31, 2024
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@vchuravy vchuravy closed this Sep 25, 2024
@vchuravy vchuravy deleted the vc/lammps_actually_build_mpi branch September 25, 2024 06:34
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@vchuravy @giordano