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ROCm packages: externals consistency #150

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Mar 4, 2024
Merged

ROCm packages: externals consistency #150

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0a99d45
remove version locking from experiment config; achieve this with a mi…
scheibelp Feb 27, 2024
5870d5f
add needed externals, proper dependency reference for mixin
scheibelp Feb 27, 2024
1f16b8b
also align rocmcc version w/hip version
scheibelp Feb 28, 2024
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21 changes: 21 additions & 0 deletions configs/LLNL-Tioga-HPECray-zen3-MI250X-Slingshot/auxiliary_software_files/packages.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -187,6 +187,27 @@ packages:
prefix: /opt/rocm-5.4.3/
- spec: [email protected]
prefix: /opt/rocm-5.5.1/
hsakmt-roct:
buildable: false
externals:
- spec: [email protected]
prefix: /opt/rocm-5.4.3/
- spec: [email protected]
prefix: /opt/rocm-5.5.1/
roctracer-dev-api:
buildable: false
externals:
- spec: [email protected]
prefix: /opt/rocm-5.4.3/
- spec: [email protected]
prefix: /opt/rocm-5.5.1/
rocminfo:
buildable: false
externals:
- spec: [email protected]
prefix: /opt/rocm-5.4.3/
- spec: [email protected]
prefix: /opt/rocm-5.5.1/
llvm-amdgpu:
externals:
- spec: [email protected]
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4 changes: 0 additions & 4 deletions experiments/gromacs/rocm/ramble.yaml
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Expand Up @@ -53,10 +53,6 @@ ramble:
environments:
gromacs:
packages:
- hip543
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This works for rocm/5.4.3. However, if I change the compiler to [email protected], the spack concretizer still uses v5.4.3 for some packages. Following is the concretizer output for [email protected]

==> Concretized [email protected]%[email protected]~double~hwloc+mpi+openmp+rocm+sycl amdgpu_target=gfx90a
 -   2fjfk3y  [email protected]%[email protected] cflags='-g -O2' cxxflags='-g -O2' ~cp2k~cuda~cycle_subcounters~double+gmxapi~heffte~hwloc~intel-data-center-gpu-max~intel_provided_gcc~ipo~mdrun_only+mpi+nblib~nosuffix~opencl+openmp~plumed~relaxed_double_precision+rocm+shared+sycl amdgpu_target=gfx90a build_system=cmake build_type=Release generator=make openmp_max_threads=none arch=linux-rhel8-x86_64
[e]  jmwvqsy      ^[email protected]%[email protected] cflags='-g -O2' cxxflags='-g -O2' ~doc+ncurses+ownlibs build_system=generic build_type=Release arch=linux-rhel8-x86_64
[e]  elntlub      ^[email protected]%[email protected] cflags='-g -O2' cxxflags='-g -O2'  build_system=cmake build_type=Release generator=make arch=linux-rhel8-x86_64
[e]  v42qoop      ^[email protected]%[email protected]~gtl+wrappers build_system=generic arch=linux-rhel8-x86_64
[e]  6nfuiwx      ^[email protected]%[email protected] cflags='-g -O2' cxxflags='-g -O2' ~guile build_system=generic patches=ca60bd9,fe5b60d arch=linux-rhel8-x86_64
[e]  43ygv4w      ^[email protected]%[email protected] cflags='-g -O2' cxxflags='-g -O2' ~cuda+rocm build_system=cmake build_type=Release generator=make patches=5068750,c2ee21c,ca523f1,ddd86f0 arch=linux-rhel8-x86_64
 -   uisys2n      ^[email protected]%[email protected] cflags='-g -O2' cxxflags='-g -O2' ~cuda~ipo+rocm amdgpu_target=gfx90a build_system=cmake build_type=Release generator=make arch=linux-rhel8-x86_64
 -   rzxtvzu          ^[email protected]%[email protected] cflags='-g -O2' cxxflags='-g -O2' ~atomic~chrono~clanglibcpp~container+context~contract~coroutine~date_time~debug~exception+fiber+filesystem~graph~graph_parallel~icu~iostreams~json~locale~log~math~mpi+multithreaded~nowide~numpy~pic~program_options~python~random~regex~serialization+shared~signals~singlethreaded~stacktrace~system~taggedlayout~test~thread~timer~type_erasure~versionedlayout~wave build_system=generic context-impl=fcontext cxxstd=17 patches=3a83d90,5da7ad2,607b077 visibility=hidden arch=linux-rhel8-x86_64
[e]  goajfe5          ^[email protected]%[email protected] cflags='-g -O2' cxxflags='-g -O2' +bz2+crypt+ctypes+dbm~debug+libxml2+lzma~nis~optimizations+pic+pyexpat+pythoncmd+readline+shared+sqlite3+ssl~tkinter+uuid+zlib build_system=generic patches=0d98e93,4c24573,ebdca64,f2fd060 arch=linux-rhel8-x86_64
[e]  qd5rbts      ^[email protected]%[email protected] cflags='-g -O2' cxxflags='-g -O2' ~asan+image+shared build_system=cmake build_type=Release generator=make patches=9267179 arch=linux-rhel8-x86_64
[e]  3f7dz3g      ^[email protected]%[email protected] cflags='-g -O2' cxxflags='-g -O2' ~asan+shared build_system=cmake build_type=Release generator=make patches=114b05a arch=linux-rhel8-x86_64
[e]  e4ljwkx      ^[email protected]%[email protected] cflags='-g -O2' cxxflags='-g -O2' ~cluster+envmods~ilp64+shared build_system=generic mpi_family=none threads=none arch=linux-rhel8-x86_64
[e]  5554olq      ^[email protected]%[email protected] cflags='-g -O2' cxxflags='-g -O2' ~link_llvm_dylib~llvm_dylib~openmp+rocm-device-libs build_system=cmake build_type=Release generator=ninja patches=a08bbe1 arch=linux-rhel8-x86_64
[e]  tsvmocc      ^[email protected]%[email protected] cflags='-g -O2' cxxflags='-g -O2'  build_system=cmake build_type=Release generator=make arch=linux-rhel8-x86_64
[e]  6bvget5      ^[email protected]%[email protected] cflags='-g -O2' cxxflags='-g -O2'  build_system=generic arch=linux-rhel8-x86_64

==> Concretized [email protected]%[email protected]+rocm
 -   uisys2n  [email protected]%[email protected] cflags='-g -O2' cxxflags='-g -O2' ~cuda~ipo+rocm amdgpu_target=gfx90a build_system=cmake build_type=Release generator=make arch=linux-rhel8-x86_64
 -   rzxtvzu      ^[email protected]%[email protected] cflags='-g -O2' cxxflags='-g -O2' ~atomic~chrono~clanglibcpp~container+context~contract~coroutine~date_time~debug~exception+fiber+filesystem~graph~graph_parallel~icu~iostreams~json~locale~log~math~mpi+multithreaded~nowide~numpy~pic~program_options~python~random~regex~serialization+shared~signals~singlethreaded~stacktrace~system~taggedlayout~test~thread~timer~type_erasure~versionedlayout~wave build_system=generic context-impl=fcontext cxxstd=17 patches=3a83d90,5da7ad2,607b077 visibility=hidden arch=linux-rhel8-x86_64
[e]  jmwvqsy      ^[email protected]%[email protected] cflags='-g -O2' cxxflags='-g -O2' ~doc+ncurses+ownlibs build_system=generic build_type=Release arch=linux-rhel8-x86_64
[e]  6nfuiwx      ^[email protected]%[email protected] cflags='-g -O2' cxxflags='-g -O2' ~guile build_system=generic patches=ca60bd9,fe5b60d arch=linux-rhel8-x86_64
[e]  43ygv4w      ^[email protected]%[email protected] cflags='-g -O2' cxxflags='-g -O2' ~cuda+rocm build_system=cmake build_type=Release generator=make patches=5068750,c2ee21c,ca523f1,ddd86f0 arch=linux-rhel8-x86_64
[e]  qd5rbts      ^[email protected]%[email protected] cflags='-g -O2' cxxflags='-g -O2' ~asan+image+shared build_system=cmake build_type=Release generator=make patches=9267179 arch=linux-rhel8-x86_64
[e]  5554olq      ^[email protected]%[email protected] cflags='-g -O2' cxxflags='-g -O2' ~link_llvm_dylib~llvm_dylib~openmp+rocm-device-libs build_system=cmake build_type=Release generator=ninja patches=a08bbe1 arch=linux-rhel8-x86_64
[e]  goajfe5      ^[email protected]%[email protected] cflags='-g -O2' cxxflags='-g -O2' +bz2+crypt+ctypes+dbm~debug+libxml2+lzma~nis~optimizations+pic+pyexpat+pythoncmd+readline+shared+sqlite3+ssl~tkinter+uuid+zlib build_system=generic patches=0d98e93,4c24573,ebdca64,f2fd060 arch=linux-rhel8-x86_64

==> Concretized [email protected]
[e]  e4ljwkx  [email protected]%[email protected] cflags='-g -O2' cxxflags='-g -O2' ~cluster+envmods~ilp64+shared build_system=generic mpi_family=none threads=none arch=linux-rhel8-x86_64

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@scheibelp scheibelp Feb 28, 2024 •
edited
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Thanks: the components were synchronized with each other WRT version, but not with the compiler version. I added another constraint for that in 1f16b8b So when building with %[email protected], we will use ^[email protected].

I'll note that with this change specifically, Benchpark constraints for rocmcc/rocm-externals are now more strict than within the non-external Spack builtin case (there's nothing inherently wrong with that).

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Would this still work for a non-rocmcc compiler, say cce?

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Yes: this does not force the use of %rocmcc, it just makes sure that if you use %rocmcc, that the compiler version matches the component version.

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The spack concretization works for consistently for both rocm 5.4 and 5.5

- hsa-rocr-dev543
- blas-rocm543
- lapack-rocm543
- mpi-rocm-no-gtl
- hipsycl
- fftw
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3 changes: 2 additions & 1 deletion repo/gromacs/package.py
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Expand Up @@ -8,9 +8,10 @@
import llnl.util.filesystem as fs

from spack.package import *
from spack.pkg.benchpark.rocm_consistency import RocmConsistency as RocmConsistency


class Gromacs(CMakePackage, CudaPackage, ROCmPackage):
class Gromacs(CMakePackage, CudaPackage, ROCmPackage, RocmConsistency):
"""GROMACS is a molecular dynamics package primarily designed for simulations
of proteins, lipids and nucleic acids. It was originally developed in
the Biophysical Chemistry department of University of Groningen, and is now
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37 changes: 37 additions & 0 deletions repo/rocm-consistency/package.py
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@@ -0,0 +1,37 @@
# Copyright 2013-2024 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)

from spack.package import *
from spack.package_base import PackageBase


class RocmConsistency(PackageBase):
with when("+rocm"):
for ver in [
"5.1.0",
"5.1.3",
"5.2.0",
"5.2.1",
"5.2.3",
"5.3.0",
"5.3.3",
"5.4.0",
"5.4.3",
"5.5.0",
"5.5.1",
"5.6.0",
"5.6.1",
"5.7.0",
"5.7.1",
"6.0.0",
"6.0.2",
]:
depends_on(f"hip@{ver}", when=f"%rocmcc@{ver} ^hip")
depends_on(f"hsakmt-roct@{ver}", when=f"^hip@{ver}")
depends_on(f"hsa-rocr-dev@{ver}", when=f"^hip@{ver}")
depends_on(f"comgr@{ver}", when=f"^hip@{ver}")
depends_on(f"llvm-amdgpu@{ver} +rocm-device-libs", when=f"^hip@{ver}")
depends_on(f"rocminfo@{ver}", when=f"^hip@{ver}")
depends_on(f"roctracer-dev-api@{ver}", when=f"^hip@{ver}")