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fix: account for memory overhead (#2648)
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According to the manual, `-m` specifies the approximated maximum
required memory per thread.
In some cases, `samtools sort` can use more memory than specified (e.g.
samtools/samtools#831) so we account for some
overhead.

### QC
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* [x] I confirm that:

For all wrappers added by this PR, 

* there is a test case which covers any introduced changes,
* `input:` and `output:` file paths in the resulting rule can be changed
arbitrarily,
* either the wrapper can only use a single core, or the example rule
contains a `threads: x` statement with `x` being a reasonable default,
* rule names in the test case are in
[snake_case](https://en.wikipedia.org/wiki/Snake_case) and somehow tell
what the rule is about or match the tools purpose or name (e.g.,
`map_reads` for a step that maps reads),
* all `environment.yaml` specifications follow [the respective best
practices](https://stackoverflow.com/a/64594513/2352071),
* the `environment.yaml` pinning has been updated by running
`snakedeploy pin-conda-envs environment.yaml` on a linux machine,
* wherever possible, command line arguments are inferred and set
automatically (e.g. based on file extensions in `input:` or `output:`),
* all fields of the example rules in the `Snakefile`s and their entries
are explained via comments (`input:`/`output:`/`params:` etc.),
* `stderr` and/or `stdout` are logged correctly (`log:`), depending on
the wrapped tool,
* temporary files are either written to a unique hidden folder in the
working directory, or (better) stored where the Python function
`tempfile.gettempdir()` points to (see
[here](https://docs.python.org/3/library/tempfile.html#tempfile.gettempdir);
this also means that using any Python `tempfile` default behavior
works),
* the `meta.yaml` contains a link to the documentation of the respective
tool or command,
* `Snakefile`s pass the linting (`snakemake --lint`),
* `Snakefile`s are formatted with
[snakefmt](https://github.com/snakemake/snakefmt),
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ordering. E.g. for bioconda, use (conda-forge, bioconda, nodefaults, as
conda-forge should have highest priority and defaults channels are
usually not needed because most packages are in conda-forge nowadays).
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fgvieira committed Feb 22, 2024
1 parent 8972be1 commit 6a05aad
Showing 1 changed file with 6 additions and 1 deletion.
7 changes: 6 additions & 1 deletion bio/samtools/sort/wrapper.py
Expand Up @@ -15,7 +15,12 @@
extra = snakemake.params.get("extra", "")
log = snakemake.log_fmt_shell(stdout=True, stderr=True)

mem_per_thread_mb = int(get_mem(snakemake) / snakemake.threads)
# `-m`: Approximately the maximum required memory per thread [...]
# samtools sort can use more memory than specified (e.g. https://github.com/samtools/samtools/issues/831)
mem_overhead_factor = snakemake.params.get("mem_overhead_factor", 0.1)
mem_per_thread_mb = int(
get_mem(snakemake) / snakemake.threads * (1.0 - mem_overhead_factor)
)

with tempfile.TemporaryDirectory() as tmpdir:
tmp_prefix = Path(tmpdir) / "samtools_sort"
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