Paul Bauer

Scientific programmer, simulation nerd, usually quiet.

[BioExcel CoE @BioExcelCoE]

🗓️Join us on 5 March 2024 to hear Magnus Lundborg talk about new features and improvements on GROMACS 2024

Magnus leads the #GROMACS development team at KTH in Stockholm 🇸🇪

Registration and further information➡️ https://t.co/AuXmr1qji3

@GMX_TWEET

#moleculardynamics #webinar

[Paul Bauer @MnpvAc]

@the_mabraham @science_dot @_zzzoom_ The real horror would be different kind of GPUs ...

[BioExcel CoE @BioExcelCoE]

A great opportunity to join the GROMACS development team in Sweden working on code development mainly targeting GPUs🔝🖥️🇸🇪

ℹ️ For more information visit: https://t.co/EfbekvRVUu
🗓️ Application deadline: 8 January 2024

@GMX_TWEET
#jobs #hpc #moleculardynamics

[GROMACS @GMX_TWEET]

Join us at the running GROMACS efficiently on LUMI workshop 2024 https://t.co/ShHv1Sh7Rf with @BioExcelCoE

[Paul Bauer @MnpvAc]

If you have a favourite tool that you think needs attention, let the team know!

[GROMACS @GMX_TWEET]

Please help us give you the right functionality on the right tools! We'd love to know if these GROMACS tools still have users who love them. Poll at https://t.co/i71icFcpBo

[GROMACS @GMX_TWEET]

We'd love some feedback on how we're doing and what we can do in future! Please do the survey at https://t.co/Mi5ZSVj5xa

[GROMACS @GMX_TWEET]

Come learn about my new capabilities in the first webinar from the new BioExcel COE! https://t.co/fsgSgs3zOb

[Paul Bauer @MnpvAc]

@eriklindahl @owainkenway @spackpm I really need to find some time to do some debugging again :)

[Paul Bauer @MnpvAc]

@owainkenway @BuckmasterFresh @soilandreyes @BioExcelCoE Are the crashes in those versions related to any bugs that got fixed in the later releases? Or something that got "fixed" as part of another fix?

If not, it would help to have this as additional information for the bug report.

[Paul Bauer @MnpvAc]

@eriklindahl @owainkenway @spackpm To extend @eriklindahl reply, if you can pinpoint the versions where this happened it will make bisecting things much easier.

[Paul Bauer @MnpvAc]

@eriklindahl @scilifelab @KTHuniversity @Stockholm_Uni I also very much enjoyed my time in the team and the opportunities to learn new things and use them!

[Erik Lindahl - eriklindahl.bsky.social @eriklindahl]

In addition, we will also have a new permanent senior researcher position for a Gromacs project manager, who will also be involved in leading several EU projects :-)

[Erik Lindahl - eriklindahl.bsky.social @eriklindahl]

Are you around at #bps2023 and interested in PhD/postdoc opportunities to work on molecular simulations? We have a number of openings in the next month, covering both Gromacs, ML force fields, MSMs and trajectory data mining. Send me a DM, or email [email protected]

[GROMACS @GMX_TWEET]

Want to learn how to write code in GROMACS? Let us know how you'd like us to deliver content! https://t.co/7WzzYf1ePO

[GROMACS @GMX_TWEET]

Want to learn how to code in GROMACS? We're planning a face-to-face workshop and would love your input here! https://t.co/OrXKoxtCVt

[Paul Bauer @MnpvAc]

@eriklindahl @elonmusk I never felt that I couldn't express myself freely when it came to issues in the GROMACS team or contradicting @eriklindahl, and I hope others felt the same with me. Really strange seeing what is going on there right now ...

[Paul Bauer @MnpvAc]

@JustinLemkulVT @eriklindahl @TidebringerTide But are you lawful evil or chaotic evil?

[Paul Bauer @MnpvAc]

@triprotic @science_dot @eriklindahl Would you be fine with this being a quote as well, @eriklindahl?

[Paul Bauer @MnpvAc]

@science_dot @eriklindahl @triprotic More difficult that way, but there are some error messages for berendsen that could be extended ...

[Paul Bauer @MnpvAc]

Thanks to all the development team and @eriklindahl for fostering a great environment for the development of scientific software!

[Paul Bauer @MnpvAc]

After 5 amazing years as part of the @GMX_TWEET development team, and three years as development manager, it is now time for me to look for new challenges. I'll continue to be involved in development, just at a different frequency :)