From 1eb0a5d188fa734ed989228dd7d2cdf2a9e1d208 Mon Sep 17 00:00:00 2001 From: Dom Heinzeller Date: Mon, 30 Sep 2024 19:28:43 -0600 Subject: [PATCH] release/1.8.0: Update derecho site config (#1315) Update Derecho site config for release/1.8.0: 1. Use only three build jobs to avoid getting booted off the system by the arbiter 2. Use gcc@11.2.0 as backend for Intel to fix build errors for met and py-scipy 3. Pin py-scipy to 1.11.4 4. ecflow/qt changes as discussed earlier --- configs/sites/tier1/derecho/compilers.yaml | 25 ++++++++++++++++--- configs/sites/tier1/derecho/config.yaml | 2 +- configs/sites/tier1/derecho/packages.yaml | 21 +++++++++------- .../sites/tier1/derecho/packages_intel.yaml | 2 +- doc/source/PreConfiguredSites.rst | 1 - 5 files changed, 36 insertions(+), 15 deletions(-) diff --git a/configs/sites/tier1/derecho/compilers.yaml b/configs/sites/tier1/derecho/compilers.yaml index 20cf2574c..db05f7f08 100644 --- a/configs/sites/tier1/derecho/compilers.yaml +++ b/configs/sites/tier1/derecho/compilers.yaml @@ -14,9 +14,9 @@ compilers:: - intel-classic/2023.2.1 environment: prepend_path: - PATH: '/opt/cray/pe/gcc/12.2.0/bin' - CPATH: '/opt/cray/pe/gcc/12.2.0/snos/include' - LD_LIBRARY_PATH: '/glade/u/apps/common/23.08/spack/opt/spack/intel-oneapi-compilers/2023.2.1/compiler/2023.2.1/linux/compiler/lib/intel64_lin:/opt/cray/pe/gcc/12.2.0/snos/lib:/opt/cray/pe/gcc/12.2.0/lib64' + PATH: '/opt/cray/pe/gcc/11.2.0/snos/bin' + CPATH: '/opt/cray/pe/gcc/11.2.0/snos/include' + LD_LIBRARY_PATH: '/glade/u/apps/common/23.08/spack/opt/spack/intel-oneapi-compilers/2023.2.1/compiler/2023.2.1/linux/compiler/lib/intel64_lin:/opt/cray/pe/gcc/11.2.0/snos/lib:/opt/cray/pe/gcc/11.2.0/snos/lib64' set: # https://github.com/JCSDA/spack-stack/issues/957 FI_CXI_RX_MATCH_MODE: 'hybrid' @@ -41,4 +41,23 @@ compilers:: # https://github.com/JCSDA/spack-stack/issues/957 FI_CXI_RX_MATCH_MODE: 'hybrid' extra_rpaths: [] +# Needed for intel +- compiler: + spec: gcc@11.2.0 + paths: + cc: /opt/cray/pe/gcc/11.2.0/bin/gcc + cxx: /opt/cray/pe/gcc/11.2.0/bin/g++ + f77: /opt/cray/pe/gcc/11.2.0/bin/gfortran + fc: /opt/cray/pe/gcc/11.2.0/bin/gfortran + flags: {} + operating_system: sles15 + target: x86_64 + modules: + - ncarenv/23.09 + - gcc/11.2.0 + environment: + set: + # https://github.com/JCSDA/spack-stack/issues/957 + FI_CXI_RX_MATCH_MODE: 'hybrid' + extra_rpaths: [] diff --git a/configs/sites/tier1/derecho/config.yaml b/configs/sites/tier1/derecho/config.yaml index 84fe05ab9..fd1f8aa47 100644 --- a/configs/sites/tier1/derecho/config.yaml +++ b/configs/sites/tier1/derecho/config.yaml @@ -1,2 +1,2 @@ config: - build_jobs: 8 + build_jobs: 3 diff --git a/configs/sites/tier1/derecho/packages.yaml b/configs/sites/tier1/derecho/packages.yaml index 8ea313601..7105a030a 100644 --- a/configs/sites/tier1/derecho/packages.yaml +++ b/configs/sites/tier1/derecho/packages.yaml @@ -7,6 +7,11 @@ packages: # Need to force spack to build python with ssl variant when using older openssl from OS python: require: "+ssl" + # py-scipy 1.12 does not build with intel on Derecho, pin to 1.11.4 + # use same version with gcc for consistency on the machine + py-scipy: + require: + - '@1.11.4' ### All other external packages listed alphabetically autoconf: externals: @@ -26,8 +31,8 @@ packages: prefix: /usr curl: externals: - - spec: curl@7.79.1+gssapi+ldap+nghttp2 - prefix: /usr + - spec: curl@8.1.2+gssapi+ldap+nghttp2 + prefix: /glade/u/apps/derecho/23.09/spack/opt/spack/curl/8.1.2/gcc/7.5.0/uq6y cvs: externals: - spec: cvs@1.12.13 @@ -36,13 +41,6 @@ packages: externals: - spec: diffutils@3.6 prefix: /usr - ecflow:: - buildable: False - externals: - - spec: ecflow@5.8.4+ui+static_boost - prefix: /glade/work/epicufsrt/contrib/spack-stack/derecho/ecflow-5.8.4 - modules: - - ecflow/5.8.4 findutils: externals: - spec: findutils@4.8.0 @@ -96,6 +94,11 @@ packages: externals: - spec: pkg-config@0.29.2 prefix: /usr + qt: + buildable: False + externals: + - spec: qt@5.14.2 + prefix: /glade/u/apps/derecho/23.09/spack/opt/spack/qt/5.14.2/gcc/7.5.0/eqcj sed: externals: - spec: sed@4.4 diff --git a/configs/sites/tier1/derecho/packages_intel.yaml b/configs/sites/tier1/derecho/packages_intel.yaml index dc534a575..06f45d62d 100644 --- a/configs/sites/tier1/derecho/packages_intel.yaml +++ b/configs/sites/tier1/derecho/packages_intel.yaml @@ -1,6 +1,6 @@ packages: all: - compiler:: [intel@2021.10.0,gcc@12.2.0] + compiler:: [intel@2021.10.0,gcc@11.2.0] providers: mpi:: [cray-mpich@8.1.25] # Remove the next three lines to switch to intel-oneapi-mkl diff --git a/doc/source/PreConfiguredSites.rst b/doc/source/PreConfiguredSites.rst index 97b532daa..7aa53a360 100644 --- a/doc/source/PreConfiguredSites.rst +++ b/doc/source/PreConfiguredSites.rst @@ -225,7 +225,6 @@ The following is required for building new spack environments with any supported export LMOD_TMOD_FIND_FIRST=yes module load ncarenv/23.09 module use /glade/work/epicufsrt/contrib/spack-stack/derecho/modulefiles - module load ecflow/5.8.4 .. _Preconfigured_Sites_Acorn: