Differences

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--- doku:spack [2021/08/26 06:47] – created mhickel
+++ doku:spack [2023/05/17 14:46] – msiegel
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+===== SPACK - a package manager for HPC systems =====
+[[https://spack.readthedocs.io/en/latest/basic_usage.html|Official documentation of SPACK]]
+==== New SPACK without environments ====
+Having worked with spack environments for some time, we have encountered several severe issues which have convinced us that we need to find a more practical way of maintaining software packages at VSC.
+There are now three separate spack installation trees corresponding to the CPU/GPU architectures on VSC:
+  * skylake - Intel CPUs; works on Intel Skylake and Cascadelake CPUs
+  * zen - AMD CPUs; works on Zen 2 and 3 CPUs
+  * cuda-zen - AMD CPUs + NVIDIA GPUs; works on all nodes equipped with graphics cards
+By default the spack installation tree suitable for the current compute/login node is activated and will be indicated by a **prefix** on the command line, e.g.:
+<code>
+zen [user@l51 ~]$
+</code>
+Read more at:
+[[doku:spack-transition | Transition to new SPACK without Environments]]
+==== List available packages ====
+Most software on VSC4/5 is installed via spack, to list available software packages use:
+<code>
+spack find
+</code>
+List all available packages compiled with a specific compiler:
+<code>
+spack find %gcc@9.1.0
+</code>
+A specific version can be requested as well:
+<code>
+spack find openmpi@4.1.0
+</code>
+List a specific version compiled with a specific compiler:
+<code>
+spack find openmpi@4.1.0%gcc@9.1.0
+</code>
+The detail level of information can be specified with the following options:
+<code>
+spack find -l openmpi@4.1.0%gcc@9.1.0
+spack find -lv openmpi@4.1.0%gcc@9.1.0
+spack find -lvd openmpi@4.1.0%gcc@9.1.0
+</code>
+The latter lists all dependencies of the package.
+**Dependencies**: dependencies of software packages can be specified with a ''^''.
+e.g.:
+<code>
+spack find -lvd py-scipy %intel@19.0.5.281 ^python@3.7.4 ^intel-mkl
+</code>
+This will list all available versions of ''py-scipy'' which have been build with ''python@3.7.4'' and any version of ''intel-mkl''.
+List all currently loaded packages:
+<code>
+spack find --loaded
+</code>
+==== Load modules ====
+The ''spack'' command can be used to load software modules. The general form is:
+<code>
+spack load <package>
+</code>
+''package'' has to be a uniquely defined software package where all dependencies have been resolved, e.g.:
+<code>
+spack load openmpi@4.1.0%gcc@9.1.0
+</code>
+This will load the corresponding module:
+<code>
+# module list
+Currently Loaded Modulefiles:
+) openmpi/4.1.0-gcc-9.1.0-2cmze2s
+</code>
+and is equivalent to loading the module as:
+<code>
+module load openmpi/4.1.0-gcc-9.1.0-2cmze2s
+</code>
+Alternatively a package can be loaded by using the unique hash of a package.
+The option ''-l'' will display the short hash of a package:
+<code>
+# spack find -l openmpi@4.1.0%gcc@9.1.0
+==> 1 installed package
+-- linux-centos7-x86_64 / gcc@9.1.0 -----------------------------
+cmze2s openmpi@4.1.0
+</code>
+The hash ''2cmze2s'' uniquely identifies the package and can also be used to load the software module:
+<code>
+spack load /2cmze2s
+</code>
+Unload all currently loaded packages:
+<code>
+spack unload --all
+</code>