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# Introduction to using the VSC clusters
[Software management](https://gitlab.tuwien.ac.at/vsc-public/training/vsc-intro/-/blob/main/modules/modules.md)
[Spack - a package manager for HPC systems](https://gitlab.tuwien.ac.at/vsc-public/training/vsc-intro/-/blob/main/spack/spack.md)
[Compiling code](https://gitlab.tuwien.ac.at/vsc-public/training/vsc-intro/-/blob/main/compiling/compiling.md)
[Singularity](https://gitlab.tuwien.ac.at/vsc-public/training/vsc-intro/-/blob/main/singularity/singularity.md)
## Authors and acknowledgment
@VSC team
spack/makefile
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......@@ -2,9 +2,11 @@
spack.pdf: spack.md pictures/slide.tex
pandoc --to=beamer \
--include-in-header=pictures/slide.tex \
--variable=aspectratio:169 \
--highlight-style=breezedark \
--standalone \
--output=spack.pdf \
spack.md
--ascii \
--pdf-engine=xelatex \
--include-in-header=pictures/slide.tex \
--variable=aspectratio:169 \
--highlight-style=breezedark \
--standalone \
--output=spack.pdf \
spack.md
spack/spack.md
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......@@ -20,49 +20,89 @@ Example MPI:
18 providers `x` 30 versions `x` 6 compilers `x` 22 flags `x` 31 dependencies =
= **2209680 variants** on VSC-5 alone!
= **2 Million variants** on VSC-5 alone!
### Architecture: Spack Trees
<!-- ### Architecture: Spack Trees -->
We have 3 different **spack trees** for different architecture:
<!-- We have 3 different **spack trees** for different architecture: -->
| Cluster | CPU | GPU | Spack Tree |
|---------|-------|-----|------------|
| VSC-4 | Intel | NO | `skylake` |
| VSC-5 | AMD | NO | `zen` |
| VSC-5 | AMD | YES | `cuda-zen` |
<!-- | Cluster | CPU | GPU | Spack Tree | -->
<!-- |---------|-------|-----|------------| -->
<!-- | VSC-4 | Intel | NO | `skylake` | -->
<!-- | VSC-5 | AMD | NO | `zen` | -->
<!-- | VSC-5 | AMD | YES | `cuda-zen` | -->
All packages **only** work on their architecture!
<!-- All packages **only** work on their architecture! -->
### Three Spack Trees
::::: columns
::: {.column width="30%"}
![](pictures/tree.jpg)
| VSC-**4**
| Intel
| CPU
| **skylake**
:::
::: {.column width="30%"}
![](pictures/spruce.jpg)
| VSC-**5**
| AMD
| CPU
| **zen**
:::
::: {.column width="30%"}
![](pictures/palm.jpg)
| VSC-**5**
| AMD
| GPU
| **cuda-zen**
:::
:::::
### Default Spack Trees
The current spack tree is shown on the left of the command line **prompt**:
```{.bash .numberLines startFrom=""}
skylake trainee00@l44:~$
zen trainee00@l55:~$
cuda-zen trainee00@l55:~$
zen trainee00@l55:~$
cuda-zen trainee00@l55:~$
skylake trainee00@l44:~$
```
On login the **spack tree** for the current architecture is set.
Packages from one tree do not work on other architecture!
### Switch Tree
All spack commands work on the **current tree**.
Type `sky`, `zen` or `cuz` to **switch** to a spack tree:
Type `skylake`, `zen` or `cuda-zen` to **switch** to a spack tree:
```{.bash .numberLines startFrom=""}
skylake trainee00@l44:~$ zen
zen trainee00@l44:~$ cuz
cuda-zen trainee00@l44:~$ sky
skylake trainee00@l44:~$
zen trainee00@l55:~$ cuda-zen
cuda-zen trainee00@l55:~$ skylake
skylake trainee00@l55:~$ zen
zen trainee00@l55:~$
```
You are on the **same node** `l44` the whole time.
You are on the **same node** `l55` the whole time.
### Find Your Package
......@@ -70,14 +110,14 @@ You are on the **same node** `l44` the whole time.
Find your package, like **openmpi**:
```{.bash .numberLines startFrom=""}
zen trainee00@l44:~$ spack find openmpi
zen trainee00@l55:~$ spack find openmpi
```
Use `"@"` to show specific **version** only:
```{.bash .numberLines startFrom="2"}
skylake trainee00@l44:~$ spack find openmpi@4.1.4
zen trainee00@l55:~$ spack find openmpi@3
zen trainee00@l55:~$ spack find openmpi@4.1.4
```
All **python** packages have a leading *"py-"* like in **py-numpy**.
......@@ -107,13 +147,19 @@ All **R** packages start with *"r-"* like in **r-brew**.
Add `-l` to show the unique package **hash** too:
```{.bash .numberLines startFrom=""}
skylake trainee00@l44:~$ spack find -l openmpi@4.1.4
zen trainee00@l55:~$ spack find -l openmpi@4.1.4
-- linux-almalinux8-zen / gcc@8.5.0 -----------------------------
3yligjt openmpi@4.1.4
...
```
Use **any** spack command with this hash, and a `"/"` in front:
```{.bash .numberLines startFrom="2"}
skylake trainee00@l44:~$ spack find -l /2vqdnay
zen trainee00@l55:~$ spack find -l /3yligjt
-- linux-almalinux8-zen / gcc@8.5.0 -----------------------------
3yligjt openmpi@4.1.4
==> 1 installed package
```
......@@ -123,6 +169,14 @@ Use `spack search` to search for a **hash** of an old VSC installation:
```{.bash .numberLines startFrom=""}
zen trainee00@l55:~$ spack search /asdc2mk
==> The hash asdc2mkqlgtelulq5nu6ctd4b5stefag refers to python from vsc4 with parameters:
python +bz2+ctypes+dbm~debug+libxml2+lzma~nis~optimizations+pic+pyexpat+pythoncmd+readline+shared+sqlite3+ssl~tix~tkinter~ucs4+uuid+zlib
==> Similar python packages in installation zen:
-- linux-almalinux8-zen / gcc@8.5.0 -----------------------------
...
```
You get some similar modules on the **current** spack tree.
......@@ -150,7 +204,7 @@ zen trainee00@l55:~$ spack find openmpi %gcc@9
Use `spack find -v` to see the **flags** of a package:
```{.bash .numberLines startFrom=""}
skylake trainee00@l44:~$ spack find -v openmpi@4.1.4
zen trainee00@l55:~$ spack find -v openmpi@4.1.4
```
Use `"+"` or `"~"` to show only packages that **have/not have** that flag:
......@@ -165,7 +219,7 @@ cuda-zen trainee00@l55:~$ spack find openmpi +cuda
Use `spack find -d` to show the **dependencies** of a package:
```{.bash .numberLines startFrom=""}
skylake trainee00@l44:~$ spack find -d /xt53foa
zen trainee00@l55:~$ spack find -d /xt53foa
```
Use `"^"` to only show packages **A** that depend on **B**:
......@@ -181,18 +235,18 @@ zen trainee00@l55:~$ spack find -d py-numpy ^openblas
Use `spack load` to load your package:
```{.bash .numberLines startFrom=""}
skylake trainee00@l44:~$ spack load openmpi@4.1.4
zen trainee00@l55:~$ spack load openmpi@4.1.4
```
Add the unique **hash** to load that **exact** package:
```{.bash .numberLines startFrom="2"}
skylake trainee00@l44:~$ spack load py-numpy/ygplffi
zen trainee00@l55:~$ spack load py-numpy/dzcpm7y
zen trainee00@l55:~$ spack load py-numpy/4qshzxi
cuda-zen trainee00@l55:~$ spack load py-numpy/bctcmkr
skylake trainee00@l44:~$ spack load py-numpy/b3lgcbu
```
All these packages are **numpy**, but built for different architectures.
All these packages are python's **numpy**, but built for different architectures.
### List & Unload
......@@ -200,14 +254,20 @@ All these packages are **numpy**, but built for different architectures.
Type `spack find --loaded` to list loaded packages:
```{.bash .numberLines startFrom=""}
skylake trainee00@l44:~$ spack find --loaded
zen trainee00@l55:~$ spack find --loaded
-- linux-almalinux8-zen3 / gcc@12.2.0 ---------------------------
o6ui7qb berkeley-db@18.1.40 4o2lzl4 libbsd@0.11.5
qta2z6t openssl@1.1.1s sultos7 py-setuptools@63.0.0
...
```
Type `spack unload` to unload all packages.
Unload a package with `spack unload mypackage`:
```{.bash .numberLines startFrom=""}
zen trainee00@l55:~$ spack unload py-numpy/4qshzxi
```
Type `spack unload` to unload **all** loaded packages.
### Spack Modules
......
spack/spack.pdf
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