Bug 1920009
| Summary: | Forced use of openblas-serial globally | ||
|---|---|---|---|
| Product: | [Fedora] Fedora | Reporter: | Susi Lehtola <susi.lehtola> |
| Component: | nwchem | Assignee: | marcindulak <Marcin.Dulak> |
| Status: | CLOSED ERRATA | QA Contact: | Fedora Extras Quality Assurance <extras-qa> |
| Severity: | unspecified | Docs Contact: | |
| Priority: | unspecified | ||
| Version: | 33 | CC: | i.ucar86, Marcin.Dulak |
| Target Milestone: | --- | ||
| Target Release: | --- | ||
| Hardware: | Unspecified | ||
| OS: | Unspecified | ||
| Whiteboard: | |||
| Fixed In Version: | nwchem-7.0.2-6.fc33 | Doc Type: | If docs needed, set a value |
| Doc Text: | Story Points: | --- | |
| Clone Of: | Environment: | ||
| Last Closed: | 2021-02-07 01:32:28 UTC | Type: | Bug |
| Regression: | --- | Mount Type: | --- |
| Documentation: | --- | CRM: | |
| Verified Versions: | Category: | --- | |
| oVirt Team: | --- | RHEL 7.3 requirements from Atomic Host: | |
| Cloudforms Team: | --- | Target Upstream Version: | |
| Embargoed: | |||
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Description
Susi Lehtola
2021-01-25 14:41:34 UTC
Do you have flexiblas-openblas-serial installed? Doesn't seem like it. If it is the default backend, why isn't it installed automatically? It is not the default backend. In fact, from your first comment: flexiblas BLAS backend "OPENBLAS-SERIAL" not found. Loading default (OPENBLAS-OPENMP) instead. openblas-openmp is the default backend. Maybe you modified the user config? Please, run `flexiblas list` to see what's in there. I have not touched any settings. This is in fact a fresh install of Fedora 33 from scratch a new laptop. $ flexiblas list System-wide: System-wide (config directory): NETLIB library = libflexiblas_netlib.so comment = OPENBLAS-OPENMP library = libflexiblas_openblas-openmp.so comment = User config: Host config: Enviroment config: Strange. Could you please also run `echo $FLEXIBLAS`? It should be empty. I cannot reproduce this with the fedora:33 docker image. If you did a fresh install, the only thing I can think of is that some package is defining the FLEXIBLAS environment variable and exporting it globally. That's indeed the case. $ echo $FLEXIBLAS openblas-serial /etc/profile.d/nwchem.csh:setenv FLEXIBLAS openblas-serial /etc/profile.d/nwchem.sh:export FLEXIBLAS=openblas-serial In other words, the NWChem package is forcing everything else to run in sequential mode, which is an utterly horrible performance degeneration. @marcindulak nwchem shouldn't be adding either FLEXIBLAS nor OMP_NUM_THREADS to the global profile, as you were discussing in [https://github.com/edoapra/fedpkg/issues/10]. This effectively forces everyone and everything else to run under such parameters. If nwchem requires openblas-serial, you should - add Requires: flexiblas-openblas-serial - add a launcher that calls nwchem with FLEXIBLAS and/or OMP_NUM_THREADS set **locally** FEDORA-2021-b8628ad5c4 has been submitted as an update to Fedora 33. https://bodhi.fedoraproject.org/updates/FEDORA-2021-b8628ad5c4 Thank you. Hopefully, future versions of flexiblas will have a mechanism to set a backend per application in the configuration, eliminating the need for a wrapper. FEDORA-2021-b8628ad5c4 has been pushed to the Fedora 33 testing repository. Soon you'll be able to install the update with the following command: `sudo dnf upgrade --enablerepo=updates-testing --advisory=FEDORA-2021-b8628ad5c4` You can provide feedback for this update here: https://bodhi.fedoraproject.org/updates/FEDORA-2021-b8628ad5c4 See also https://fedoraproject.org/wiki/QA:Updates_Testing for more information on how to test updates. FEDORA-2021-b8628ad5c4 has been pushed to the Fedora 33 stable repository. If problem still persists, please make note of it in this bug report. |