From 0ce1596cbb5d766279d4758f3ed5638669a0c428 Mon Sep 17 00:00:00 2001 From: Randolph Settgast Date: Mon, 23 Feb 2026 16:27:48 -0800 Subject: [PATCH 1/3] change cuda arch for streak2 --- .github/workflows/docker_build_tpls.yml | 2 +- docker/tpl-centos-gcc-cuda.Dockerfile | 2 +- docker/tpl-rockylinux-clang-cuda-12.Dockerfile | 2 +- docker/tpl-rockylinux-gcc-cuda-12.Dockerfile | 2 +- docker/tpl-ubuntu-clang-cuda.Dockerfile | 2 +- scripts/spack_configs/macOS/spack.yaml | 13 ++++--------- scripts/spack_configs/toss_4_x86_64_ib/spack.yaml | 8 ++++++++ scripts/spack_configs/versions.yaml | 4 ++++ scripts/spack_packages/packages/geosx/package.py | 2 +- 9 files changed, 22 insertions(+), 15 deletions(-) diff --git a/.github/workflows/docker_build_tpls.yml b/.github/workflows/docker_build_tpls.yml index 4eca2804..2b1accd5 100644 --- a/.github/workflows/docker_build_tpls.yml +++ b/.github/workflows/docker_build_tpls.yml @@ -72,7 +72,7 @@ jobs: # DOCKER_REPOSITORY: geosx/sherlock-gcc10.1.0-openmpi4.1.2-cuda12.4.0-openblas0.3.10-zlib1.2.11 # TPL_DOCKERFILE: docker/Stanford/Dockerfile # DOCKER_ROOT_IMAGE: matteofrigo5/sherlock-gcc10.1.0-openmpi4.1.2-cuda12.4.0-openblas0.3.10-zlib1.2.11-cmake3.31.4-no-geosx:0.0.1 - # SPEC: "~pygeosx~openmp cuda_arch=70 %gcc@10.1.0 ^cuda@12.4.0+allow-unsupported-compilers" + # SPEC: "~pygeosx~openmp cuda_arch=86 %gcc@10.1.0 ^cuda@12.4.0+allow-unsupported-compilers" # INSTALL_DIR_ROOT: /oak/stanford/groups/tchelepi/geos-sherlock/GPU # RUNS_ON: ubuntu-latest diff --git a/docker/tpl-centos-gcc-cuda.Dockerfile b/docker/tpl-centos-gcc-cuda.Dockerfile index f99c9f19..dbea5b7b 100644 --- a/docker/tpl-centos-gcc-cuda.Dockerfile +++ b/docker/tpl-centos-gcc-cuda.Dockerfile @@ -81,7 +81,7 @@ RUN --mount=src=.,dst=$SRC_DIR,readwrite cd ${SRC_DIR} && \ # Create symlink to openmpi include directory ln -s /usr/include/openmpi-x86_64 /usr/lib64/openmpi/include && \ ./scripts/uberenv/uberenv.py \ - --spec "%gcc@8+cuda~uncrustify~openmp~pygeosx cuda_arch=70 ^cuda@11.8.0+allow-unsupported-compilers ^caliper~gotcha~sampler~libunwind~libdw~papi" \ + --spec "%gcc@8+cuda~uncrustify~openmp~pygeosx cuda_arch=86 ^cuda@11.8.0+allow-unsupported-compilers ^caliper~gotcha~sampler~libunwind~libdw~papi" \ --spack-env-file=${SRC_DIR}/docker/spack.yaml \ --project-json=.uberenv_config.json \ --prefix ${GEOSX_TPL_DIR} \ diff --git a/docker/tpl-rockylinux-clang-cuda-12.Dockerfile b/docker/tpl-rockylinux-clang-cuda-12.Dockerfile index 9a1187fa..85b0007f 100644 --- a/docker/tpl-rockylinux-clang-cuda-12.Dockerfile +++ b/docker/tpl-rockylinux-clang-cuda-12.Dockerfile @@ -81,7 +81,7 @@ RUN --mount=src=.,dst=$SRC_DIR,readwrite cd ${SRC_DIR} && \ ln -s /usr/lib64/liblapack.so.3 /usr/lib64/liblapack.so && \ scl enable gcc-toolset-13 ' \ ./scripts/uberenv/uberenv.py \ - --spec "+cuda~uncrustify~openmp~pygeosx cuda_arch=70 %clang-17 ^cuda@12.9.1+allow-unsupported-compilers ^caliper~gotcha~sampler~libunwind~libdw~papi" \ + --spec "+cuda~uncrustify~openmp~pygeosx cuda_arch=86 %clang-17 ^cuda@12.9.1+allow-unsupported-compilers ^caliper~gotcha~sampler~libunwind~libdw~papi" \ --spack-env-file=${SRC_DIR}/docker/rocky-spack.yaml \ --project-json=.uberenv_config.json \ --prefix ${GEOSX_TPL_DIR} \ diff --git a/docker/tpl-rockylinux-gcc-cuda-12.Dockerfile b/docker/tpl-rockylinux-gcc-cuda-12.Dockerfile index c41163ac..de0b95a9 100644 --- a/docker/tpl-rockylinux-gcc-cuda-12.Dockerfile +++ b/docker/tpl-rockylinux-gcc-cuda-12.Dockerfile @@ -67,7 +67,7 @@ RUN --mount=src=.,dst=$SRC_DIR,readwrite cd ${SRC_DIR} && \ ln -s /usr/lib64/libblas.so.3 /usr/lib64/libblas.so && \ ln -s /usr/lib64/liblapack.so.3 /usr/lib64/liblapack.so && \ ./scripts/uberenv/uberenv.py \ - --spec "+cuda~uncrustify~openmp~pygeosx lai=hypre cuda_arch=70 %gcc-13 ^cuda@12.9.1+allow-unsupported-compilers ^caliper~gotcha~sampler~libunwind~libdw~papi" \ + --spec "+cuda~uncrustify~openmp~pygeosx lai=hypre cuda_arch=86 %gcc-13 ^cuda@12.9.1+allow-unsupported-compilers ^caliper~gotcha~sampler~libunwind~libdw~papi" \ --spack-env-file=${SRC_DIR}/docker/rocky-spack.yaml \ --project-json=.uberenv_config.json \ --prefix ${GEOSX_TPL_DIR} \ diff --git a/docker/tpl-ubuntu-clang-cuda.Dockerfile b/docker/tpl-ubuntu-clang-cuda.Dockerfile index 9a8f7986..1663462b 100644 --- a/docker/tpl-ubuntu-clang-cuda.Dockerfile +++ b/docker/tpl-ubuntu-clang-cuda.Dockerfile @@ -62,7 +62,7 @@ RUN apt-get install -y --no-install-recommends \ RUN --mount=src=.,dst=$SRC_DIR,readwrite cd ${SRC_DIR} && \ mkdir -p ${GEOSX_TPL_DIR} && \ ./scripts/uberenv/uberenv.py \ - --spec "+cuda~uncrustify~openmp~pygeosx cuda_arch=70 %clang-10 ^cuda@11.8.0+allow-unsupported-compilers ^caliper~gotcha~sampler~libunwind~libdw~papi" \ + --spec "+cuda~uncrustify~openmp~pygeosx cuda_arch=86 %clang-10 ^cuda@11.8.0+allow-unsupported-compilers ^caliper~gotcha~sampler~libunwind~libdw~papi" \ --spack-env-file=${SRC_DIR}/docker/ubuntu20-clang-cuda-spack.yaml \ --project-json=.uberenv_config.json \ --prefix ${GEOSX_TPL_DIR} \ diff --git a/scripts/spack_configs/macOS/spack.yaml b/scripts/spack_configs/macOS/spack.yaml index dc37e444..6a0f0474 100644 --- a/scripts/spack_configs/macOS/spack.yaml +++ b/scripts/spack_configs/macOS/spack.yaml @@ -26,9 +26,6 @@ spack: f77: /opt/homebrew/bin/gfortran fc: /opt/homebrew/bin/gfortran flags: - cflags: - cxxflags: - fflags: cppflags: -I/opt/homebrew/opt/openblas/include ldflags: -L/opt/homebrew/opt/openblas/lib operating_system: sequoia @@ -45,9 +42,6 @@ spack: flags: cppflags: -I/opt/homebrew/opt/openblas/include ldflags: -L/opt/homebrew/opt/openblas/lib - cflags: - cxxflags: - fflags: operating_system: sequoia target: aarch64 modules: [] @@ -61,6 +55,7 @@ spack: mpi: [openmpi] blas: [openblas] lapack: [openblas] + variants: "~openmp" openblas: buildable: False @@ -134,7 +129,7 @@ spack: buildable: False externals: - spec: addr2line@2.43.1 - prefix: /opt/homebrew/opt/binutils + prefix: /opt/homebrew/opt/binutils zlib: buildable: False @@ -145,5 +140,5 @@ spack: python: buildable: false externals: - - spec: python@3.13.2 - prefix: /opt/homebrew/opt/python@3.13 + - spec: python@3.14.3 + prefix: /opt/homebrew/opt/python@3.14 diff --git a/scripts/spack_configs/toss_4_x86_64_ib/spack.yaml b/scripts/spack_configs/toss_4_x86_64_ib/spack.yaml index d0ffeed9..179c2e34 100644 --- a/scripts/spack_configs/toss_4_x86_64_ib/spack.yaml +++ b/scripts/spack_configs/toss_4_x86_64_ib/spack.yaml @@ -221,8 +221,16 @@ spack: python: buildable: False externals: +<<<<<<< Updated upstream - spec: python@3.10.8 prefix: /usr/gapps/GEOSX/thirdPartyLibs/python/quartz-gcc-python/python/ +======= + # - spec: python@3.10.8 + # prefix: /usr/gapps/GEOSX/thirdPartyLibs/python/quartz-gcc-python/python/ + - spec: python@3.14.3 + prefix: /usr/tce/packages/python/python-3.14.3 + +>>>>>>> Stashed changes # This needs to be the prefix to the pygeosx LC installation # or system install with pygeosx dependencies diff --git a/scripts/spack_configs/versions.yaml b/scripts/spack_configs/versions.yaml index 5708dbb8..1357178a 100644 --- a/scripts/spack_configs/versions.yaml +++ b/scripts/spack_configs/versions.yaml @@ -20,7 +20,11 @@ packages: # master - 01/23/26 hypre: +<<<<<<< Updated upstream require: "@git.8b0093306228fef1b92384d9face7fbe5a63b460=master" +======= + require: "@git.94958704510ded75a0db8286b9a623da1fa1ee41=master" +>>>>>>> Stashed changes # v2025.0.3.0 chai: diff --git a/scripts/spack_packages/packages/geosx/package.py b/scripts/spack_packages/packages/geosx/package.py index 3bcac0cb..0d55b33b 100644 --- a/scripts/spack_packages/packages/geosx/package.py +++ b/scripts/spack_packages/packages/geosx/package.py @@ -172,7 +172,7 @@ class Geosx(CMakePackage, CudaPackage, ROCmPackage): # -Wno-error=implicit-function-declaration needed for 'METIS_PartMeshDual' error depends_on("scotch@7.0.8 ~compression +mpi +esmumps +int64 determinism=FULL ~shared ~metis build_system=cmake cflags='-fPIC' cxxflags='-fPIC'", when='+scotch') - depends_on('suite-sparse@5.10.1') + depends_on('suite-sparse@5.13.0') depends_on("suite-sparse~openmp", when="~openmp") depends_on("suite-sparse+openmp", when="+openmp") From 4270d5690d2edd3beeed4a310c89235936f75475 Mon Sep 17 00:00:00 2001 From: Randolph Settgast Date: Mon, 23 Feb 2026 21:00:03 -0800 Subject: [PATCH 2/3] fix bad merge --- scripts/spack_configs/toss_4_x86_64_ib/spack.yaml | 8 -------- scripts/spack_configs/versions.yaml | 4 ---- 2 files changed, 12 deletions(-) diff --git a/scripts/spack_configs/toss_4_x86_64_ib/spack.yaml b/scripts/spack_configs/toss_4_x86_64_ib/spack.yaml index 179c2e34..d0ffeed9 100644 --- a/scripts/spack_configs/toss_4_x86_64_ib/spack.yaml +++ b/scripts/spack_configs/toss_4_x86_64_ib/spack.yaml @@ -221,16 +221,8 @@ spack: python: buildable: False externals: -<<<<<<< Updated upstream - spec: python@3.10.8 prefix: /usr/gapps/GEOSX/thirdPartyLibs/python/quartz-gcc-python/python/ -======= - # - spec: python@3.10.8 - # prefix: /usr/gapps/GEOSX/thirdPartyLibs/python/quartz-gcc-python/python/ - - spec: python@3.14.3 - prefix: /usr/tce/packages/python/python-3.14.3 - ->>>>>>> Stashed changes # This needs to be the prefix to the pygeosx LC installation # or system install with pygeosx dependencies diff --git a/scripts/spack_configs/versions.yaml b/scripts/spack_configs/versions.yaml index 1357178a..5d435305 100644 --- a/scripts/spack_configs/versions.yaml +++ b/scripts/spack_configs/versions.yaml @@ -20,11 +20,7 @@ packages: # master - 01/23/26 hypre: -<<<<<<< Updated upstream - require: "@git.8b0093306228fef1b92384d9face7fbe5a63b460=master" -======= require: "@git.94958704510ded75a0db8286b9a623da1fa1ee41=master" ->>>>>>> Stashed changes # v2025.0.3.0 chai: From 4f0f835b720795e022ce00471fe011a6e4479501 Mon Sep 17 00:00:00 2001 From: Randolph Settgast Date: Wed, 25 Feb 2026 11:05:36 -0800 Subject: [PATCH 3/3] revert some changes --- scripts/spack_configs/versions.yaml | 2 +- scripts/spack_packages/packages/geosx/package.py | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/scripts/spack_configs/versions.yaml b/scripts/spack_configs/versions.yaml index 5d435305..5708dbb8 100644 --- a/scripts/spack_configs/versions.yaml +++ b/scripts/spack_configs/versions.yaml @@ -20,7 +20,7 @@ packages: # master - 01/23/26 hypre: - require: "@git.94958704510ded75a0db8286b9a623da1fa1ee41=master" + require: "@git.8b0093306228fef1b92384d9face7fbe5a63b460=master" # v2025.0.3.0 chai: diff --git a/scripts/spack_packages/packages/geosx/package.py b/scripts/spack_packages/packages/geosx/package.py index 0d55b33b..3bcac0cb 100644 --- a/scripts/spack_packages/packages/geosx/package.py +++ b/scripts/spack_packages/packages/geosx/package.py @@ -172,7 +172,7 @@ class Geosx(CMakePackage, CudaPackage, ROCmPackage): # -Wno-error=implicit-function-declaration needed for 'METIS_PartMeshDual' error depends_on("scotch@7.0.8 ~compression +mpi +esmumps +int64 determinism=FULL ~shared ~metis build_system=cmake cflags='-fPIC' cxxflags='-fPIC'", when='+scotch') - depends_on('suite-sparse@5.13.0') + depends_on('suite-sparse@5.10.1') depends_on("suite-sparse~openmp", when="~openmp") depends_on("suite-sparse+openmp", when="+openmp")