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doku:spack [2021/08/27 08:41] – jz | doku:spack [2023/05/17 15:26] (current) – msiegel | ||
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[[https:// | [[https:// | ||
- | == List available Packages == | ||
- | Most software on VSC4 is installed via spack, to list available software packages use: | + | ==== 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/ | ||
+ | |||
+ | < | ||
+ | zen [user@l51 ~]$ | ||
+ | </ | ||
+ | |||
+ | Read more at: | ||
+ | |||
+ | [[doku: | ||
+ | |||
+ | |||
+ | ==== List available packages ==== | ||
+ | |||
+ | Most software on VSC4/5 is installed via spack, to list available software packages use: | ||
< | < | ||
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< | < | ||
- | spack find %gcc@9.1.0 | + | spack find %gcc@12.2.0 |
+ | </ | ||
+ | |||
+ | List specific installed software packages use: | ||
+ | |||
+ | < | ||
+ | spack find openmpi | ||
</ | </ | ||
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< | < | ||
- | spack find openmpi@4.1.0 | + | spack find openmpi@4.1.4 |
</ | </ | ||
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< | < | ||
- | spack find openmpi@4.1.0%gcc@9.1.0 | + | spack find openmpi@4.1.4%gcc@12.2.0 |
</ | </ | ||
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< | < | ||
- | spack find -l openmpi@4.1.0%gcc@9.1.0 | + | spack find -l openmpi@4.1.4%gcc@12.2.0 |
- | spack find -lv openmpi@4.1.0%gcc@9.1.0 | + | spack find -lv openmpi@4.1.4%gcc@12.2.0 |
- | spack find -lvd openmpi@4.1.0%gcc@9.1.0 | + | spack find -lvd openmpi@4.1.4%gcc@12.2.0 |
</ | </ | ||
The latter lists all dependencies of the package. | The latter lists all dependencies of the package. | ||
- | The option ' | + | **Dependencies**: |
+ | e.g.: | ||
+ | < | ||
+ | spack find -lvd py-scipy %intel@19.0.5.281 ^python@3.7.4 ^intel-mkl | ||
+ | </ | ||
+ | This will list all available versions of '' | ||
+ | |||
+ | List all currently loaded packages: | ||
< | < | ||
- | # spack find -l openmpi@4.1.0%gcc@9.1.0 | + | spack find --loaded |
- | ==> 1 installed package | + | |
- | -- linux-centos7-x86_64 / gcc@9.1.0 ----------------------------- | + | |
- | 2cmze2s openmpi@4.1.0 | + | |
</ | </ | ||
- | The hash ' | + | ==== Load modules ==== |
+ | The '' | ||
+ | < | ||
+ | spack load < | ||
+ | </ | ||
+ | '' | ||
< | < | ||
- | spack load /2cmze2s | + | spack load openmpi@4.1.4%gcc@12.2.0 |
</ | </ | ||
+ | This will load the corresponding module, even if '' | ||
+ | < | ||
+ | zen xyz@l51:~$ spack load openmpi@4.1.4%gcc@12.2.0 arch=linux-almalinux8-zen3 /2vqdnay | ||
+ | zen xyz@l51:~$ module list | ||
+ | No Modulefiles Currently Loaded. | ||
+ | zen xyz@l51:~$ spack find --loaded | ||
+ | -- linux-almalinux8-zen3 / gcc@12.2.0 --------------------------- | ||
+ | autoconf@2.69 | ||
+ | autoconf-archive@2022.02.11 | ||
+ | automake@1.16.5 | ||
+ | berkeley-db@18.1.40 | ||
+ | bison@3.8.2 | ||
+ | bzip2@1.0.8 | ||
+ | ca-certificates-mozilla@2022-10-11 | ||
+ | cmake@3.24.3 | ||
+ | ==> 61 loaded packages | ||
+ | </ | ||
+ | |||
+ | and is equivalent to loading the module as: | ||
< | < | ||
- | spack find -lvd py-scipy %intel@19.0.5.281 ^python@3.7.4 ^intel-mkl | + | module load openmpi/ |
</ | </ | ||
+ | |||
+ | |||
+ | Alternatively a package can be loaded by using the unique hash of a package. | ||
+ | The option '' | ||
+ | |||
+ | < | ||
+ | zen xyz@l51:~$ spack find -l openmpi@4.1.4%gcc@12.2.0 | ||
+ | -- linux-almalinux8-zen3 / gcc@12.2.0 --------------------------- | ||
+ | 2vqdnay openmpi@4.1.4 | ||
+ | ==> 1 installed package | ||
+ | |||
+ | </ | ||
+ | |||
+ | The hash '' | ||
+ | |||
+ | < | ||
+ | spack load /2vqdnay | ||
+ | </ | ||
+ | |||
+ | Unload all currently loaded packages: | ||
+ | < | ||
+ | spack unload --all | ||
+ | </ | ||
+ |