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lines changed Original file line number Diff line number Diff line change 1
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#! /bin/bash
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# SBATCH --job-name="glotzerlab-software build"
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- # SBATCH --account=bbgw-delta-gpu
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- # SBATCH --partition=gpuA40x4
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+ # SBATCH --account=bbgw-delta-cpu
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+ # SBATCH --partition=cpu
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# SBATCH --nodes=1
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# SBATCH --tasks-per-node=1
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# SBATCH --cpus-per-task=16
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- # SBATCH --mem=48g
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- # SBATCH --gpus=1
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+ # SBATCH --mem-per-cpu=2000M
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# SBATCH --time=8:00:00
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- # TODO: rewrite to use CPU account when it is renewed
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export OUTPUT_FOLDER=/projects/bbgw/software/conda
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unset CMAKE_PREFIX_PATH
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Original file line number Diff line number Diff line change @@ -2,6 +2,7 @@ if [[ $1 == "gpu" ]]; then
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ENABLE_GPU=" on"
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fi
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+ # Use CMAKE_INSTALL_RPATH_USE_LINK_PATH TRUE to keep absolute links to mpi and other modules
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cmake -B build \
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${CMAKE_ARGS} \
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-DENABLE_MPI=on \
@@ -11,6 +12,7 @@ cmake -B build \
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-DENABLE_TBB=off \
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-DENABLE_LLVM=off \
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-DPLUGINS=" " \
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+ -DCMAKE_INSTALL_RPATH_USE_LINK_PATH=TRUE \
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-DCMAKE_CXX_FLAGS=-march=native -DCMAKE_C_FLAGS=-march=native \
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-GNinja
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{% set name = "hoomd" %}
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{% set version = "4.6.0" %}
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- {% set build = 0 %}
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+ {% set build = 2 %}
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{% set sha256 = "0002381abd82f4f5d152edb3ac319c184da3980a4bcd377e511d13ef70932c74" %}
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@@ -14,6 +14,7 @@ source:
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sha256 : {{ sha256 }}
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build :
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+ binary_relocation : False
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script_env :
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- LD_LIBRARY_PATH
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- MPICC
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# Adapted from: https://github.com/conda-forge/mpi4py-feedstock/blob/main/recipe/meta.yaml
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- {% set version = "3.1.5 " %}
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+ {% set version = "3.1.6 " %}
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{% set build = 0 %}
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package :
@@ -10,9 +10,10 @@ package:
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source :
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- fn : mpi4py-{{ version }}.tar.gz
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url : https://github.com/mpi4py/mpi4py/releases/download/{{ version }}/mpi4py-{{ version }}.tar.gz
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- sha256 : a706e76db9255135c2fb5d1ef54cb4f7b0e4ad9e33cbada7de27626205f2a153
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+ sha256 : c8fa625e0f92b082ef955bfb52f19fa6691d29273d7d71135d295aa143dee6cb
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build :
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+ binary_relocation : False
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number : {{ build }}
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string : {{ cluster }}_py{{ py }}h{{ PKG_HASH }}_{{ build }}
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script_env :
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