64 lines
3.2 KiB
Markdown
64 lines
3.2 KiB
Markdown
# Singularity container definitions for compiling/testing LAMMPS
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The *.def files in this folder can be used to build container images
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for [Singularity](https://sylabs.io), suitable for compiling and testing
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LAMMPS on a variety of OS variants with support for most standard
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packages and - for some of them - also building/spellchecking the manual
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in all supported formats. This allows to test and debug LAMMPS code on
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different OS variants without doing a full installation on your development
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workstation, e.g. when bugs are reported that can only be reproduced on
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a specific OS or with specific (mostly older) versions of tools,
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compilers, or libraries.
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Ready-to-use container images built from some these definition files are
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occasionally uploaded to the container library at sylabs.io. They
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can be found here: https://cloud.sylabs.io/library/lammps/default/lammps_development#
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and will be signed with a GPG key that has the fingerprint:
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EEA103764C6C633EDC8AC428D9B44E93BF0C375A
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Here is a workflow for testing a compilation of LAMMPS with a locally
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built CentOS 7.x singularity container.
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```
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cd some/work/directory
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git clone --depth 500 git://github.com/lammps/lammps.git lammps
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mkdir build-centos7
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cd build-centos7
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sudo singularity build centos7.sif ../tools/singularity/centos7.def
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singularity exec centos7.sif bash --login
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cmake -C ../cmake/presets/most.cmake ../cmake
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make
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```
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And here is the equivalent workflow for testing a compilation of LAMMPS
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using a pre-built Ubuntu 18.04LTS singularity container.
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```
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cd some/work/directory
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git clone --depth 500 git://github.com/lammps/lammps.git lammps
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mkdir build-ubuntu18
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cd build-ubuntu18
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singularity pull library://lammps/default/lammps_development:ubuntu18.04
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singularity exec lammps_development_ubuntu18.04.sif bash --login
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cmake -C ../cmake/presets/most.cmake ../cmake
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make
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```
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| Currently available: | Description |
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| ------------------------------ | ---------------------------------------------- |
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| centos7.def | CentOS 7.x with EPEL enabled, no LaTeX |
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| centos8.def | CentOS 8.x with EPEL enabled |
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| fedora32_mingw.def | Fedora 32 with MinGW cross-compiler toolchain |
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| ubuntu16.04.def | Ubuntu 16.04LTS with MPI == OpenMPI, no LaTeX |
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| ubuntu18.04.def | Ubuntu 18.04LTS with MPI == OpenMPI |
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| ubuntu18.04_amd_rocm.def | Ubuntu 18.04LTS with AMD ROCm toolkit |
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| ubuntu18.04_gpu.def | Ubuntu 18.04LTS with -"- plus Nvidia CUDA 11.0 |
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| ubuntu18.04_nvidia.def | Ubuntu 18.04LTS with Nvidia CUDA 11.0 toolkit |
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| ubuntu18.04_intel_opencl.def | Ubuntu 18.04LTS with Intel OpenCL runtime |
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| ubuntu20.04.def | Ubuntu 20.04LTS with MPI == OpenMPI |
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| ubuntu20.04_amd_rocm.def | Ubuntu 20.04LTS with AMD ROCm toolkit |
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| ubuntu20.04_gpu.def | Ubuntu 20.04LTS with -"- plus Nvidia CUDA 11.0 |
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| ubuntu20.04_nvidia.def | Ubuntu 20.04LTS with Nvidia CUDA 11.0 toolkit |
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| ubuntu20.04_intel_opencl.def | Ubuntu 20.04LTS with Intel OpenCL runtime |
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| ------------------------------ | ---------------------------------------------- |
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