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cluster:73 [2021/10/27 14:32] hmeij07 [Hoomd] |
cluster:73 [2021/11/24 18:18] hmeij07 [Miniconda3] |
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====== EasyBuild ====== | ====== EasyBuild ====== | ||
- | EasyBuild is a software build and installation framework that allows you to manage (scientific) software on High Performance Computing (HPC) systems in an efficient way. | + | EasyBuild is a software build and installation framework that allows you to manage (scientific) software on High Performance Computing (HPC) systems in an efficient way. |
- | * maybe use alongside OpenHPC modules? | + | |
- | * replacement for miniconda? | + | |
- | EasyBuild 4.4.2 supports 2469 different software packages (incl. toolchains, bundles) | + | * supports 2469 different software packages (incl. toolchains, bundles) |
- | * [[cluster: | + | |
+ | |||
+ | Easybuild uses '' | ||
+ | |||
+ | **Installed modules** and their dependencies | ||
+ | |||
+ | * astropy/ | ||
+ | * https:// | ||
+ | * contains package mpi4py, multithreading | ||
+ | * import erfa (needs to be loaded too), added later (pycuda, h5py for helios) | ||
+ | * to find '' | ||
+ | * emcee/ | ||
+ | * https:// | ||
+ | * contains package mpi4py, multithreading | ||
+ | * PyCUDA/ | ||
+ | * | ||
+ | |||
+ | To use module, discover the modules and load desired module. On '' | ||
+ | |||
+ | < | ||
+ | |||
+ | # cuda libs location | ||
+ | export LD_LIBRARY_PATH=\ | ||
+ | / | ||
+ | / | ||
+ | / | ||
+ | $LD_LIBRARY_PATH | ||
+ | |||
+ | |||
+ | # discover all modules | ||
+ | module use / | ||
+ | |||
+ | # view availability | ||
+ | module avail | ||
+ | |||
+ | # load | ||
+ | module load module_name | ||
+ | |||
+ | # list modules loaded | ||
+ | module list | ||
+ | |||
+ | # check, start app, import package (by full module name) | ||
+ | # note that these modules use different python versions | ||
+ | which python | ||
+ | python | ||
+ | >>> | ||
+ | |||
+ | # unload all modules (better to exit shell and start new one, | ||
+ | # purge will also unload system modules... | ||
+ | module purge | ||
+ | |||
+ | </ | ||
====== Hoomd ====== | ====== Hoomd ====== | ||
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</ | </ | ||
+ | |||
+ | * and | ||
+ | |||
+ | < | ||
+ | |||
+ | conda install -c conda-forge gsd | ||
+ | |||
+ | |||
+ | The following NEW packages will be INSTALLED: | ||
+ | |||
+ | _openmp_mutex | ||
+ | gsd conda-forge/ | ||
+ | libgomp | ||
+ | |||
+ | The following packages will be UPDATED: | ||
+ | |||
+ | certifi | ||
+ | conda | ||
+ | libgcc-ng | ||
+ | openssl | ||
+ | |||
+ | </ | ||
+ | |||
+ | |||
====== Miniconda2 ====== | ====== Miniconda2 ====== | ||
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zstd-1.4.5 | zstd-1.4.5 | ||
+ | |||
+ | </ | ||
+ | |||
+ | Then | ||
+ | --- // | ||
+ | |||
+ | < | ||
+ | |||
+ | # using pip3 | ||
+ | Successfully installed magenta-2.1.3 python-rtmidi-1.1.2 | ||
+ | |||
+ | Successfully installed keras-2.7.0 libclang-12.0.0 tensorboard-2.7.0 \ | ||
+ | tensorflow-2.7.0 tensorflow-estimator-2.7.0 tensorflow-io-gcs-filesystem-0.22.0 | ||
</ | </ | ||
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* Production version is installed in / | * Production version is installed in / | ||
- | * source / | + | * source / |
< | < | ||
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</ | </ | ||
- | * Test version is installed on local disk on host **greentail52** | + | * __Test__ |
* source / | * source / | ||
* Read [[cluster: | * Read [[cluster: |