Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 11/03/2026Most of my post PhD career can be summarized by "Turns out doing (insert thing) is hard." 000
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 31/12/2025ah yes, commit messages of a well studied person 020
Reposted by Jorge Luis Gálvez VallejoJournal of Open Source Software @joss-openjournals.bsky.social · 20/12/2025Just published in JOSS: 'FSML – A Modern Fortran Statistics and Machine Learning Library' doi.org/10.21105/joss.09058 051
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 06/12/2025Building MPI today and for the first time I've noticed the Infinite Memory Engine, amazing 010
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 13/11/2025When not writing code I try to paint 010
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 05/11/2025I go back and forth on whether this code needs to be rewritten from scratch. Today it is a day where I think it should. 000
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 05/11/2025If I can't run your software using mpirun -np X your_executable and I need a custom script that goes beyond abstracting a more complex mpirun, like: mpirun -np X --map-by ppn:X:node then I hate your software 000
Reposted by Jorge Luis Gálvez VallejoDr Abeba Birhane @abeba.blacksky.app · 29/10/2025my favourite type of emails for collaboration/advice is from start-ups and for-profit companies. friend, there’s nothing i would love to do with my time more than review and advise on your profit maximising, socially harmful (useless at best), and borderline pseudoscience tools 132519
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 20/10/2025If your arrays are sorted, certain bits of your "sorting" code won't be called. From "On increasing test coverage", by me. 000
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 19/10/2025Deploying documentation via github actions and trying to figure out "where in the world" are my images, is a fun Sunday night experience 110
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 07/10/2025We are delighted to invite you to our upcoming AMMA webinar, this time next Monday October the 13th at 12:00 Sydney time. This month we have Dr. Ben Atkinson postdoctoral researcher in the Chilton Lab @nfchilton.bsky.social at the Australian National University 111
Reposted by Jorge Luis Gálvez VallejoAndreas Herten @andih.bsky.social · 28/07/2025How about writing up something exciting about #HPC accelerators? Or fancy system tests? We’ve extended the deadline of the #SC25 #WACCPD workshop – and #HPCTESTS is also still open. Both close Friday! - WACCPD: waccpd.org/call-for-pap... - HPCTESTS: olcf.github.io/hpc-system-t... #GPU #Benchmarking 212
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 03/07/2025this is what a true commit message looks like 010
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 17/06/2025The website for MM25 is up! Come down to beautiful Melbourne, Australia to enjoy a conference for all sorts of computational chemists - from MM to QM, from B3LYP to wB97x-D3; molecular or periodic! More information to come! #compchem #chem #conference #chemistry #australia #melbourne #molecularmgmsamma.orgmm25Molecular Modelling Conference Website 010
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 11/05/2025Please join us today for a lunchtime (in Australia) discussion on moving on from research roles to software engineering roles joined by my former colleague Dr Melisa Alkan at NVIDIA and Dr. Cameron Hyde at QCIF. Link: anu.zoom.us/meeting/regi... #compchem #amma #webinar #software #hpc 100
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 03/04/2025AMMA cordially invites everyone to our monthly webinar series! The talk is at 12:00 Sydney time and will be recorded! We are still ironing out the kinks for the recording distribution. anu.zoom.us/meeting/regi... Prof. Haibo Yu will talk to us about Biological Simulations! 120
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 26/03/2025La reputísima madre que los parió. A chingar a su madre. Pardon my Spanish. 000
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 25/02/2025On behalf of the Association of Molecular Modellers of Australasia, I am happy to invite you to our newly established Webinar series! Last month we had the opportunity to host Professor Debra Bernhardt where she talked about strategies and suggestions for DECRA and Discovery Project applications.lnkd.inLinkedInThis link will take you to a page that’s not on LinkedIn 131
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 20/02/2025Early up to watch Ryan do his confirmation of candidature! 000
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 13/02/2025I think I might stick to the scheme on the right, feels more natural 000
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 10/02/2025Went to the Birch lecture today at ANU. It had been a while since I've been to a chemistry talk and I've really missed it. Professor Sessoli and her team do all the chemistry that scares me as a theorist. 110
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 09/02/2025Define LEGACY Fortran, google, I'm feeling lucky...result: 010
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 25/01/2025I wish I had 128 cores, building the LLVM takes time. 000
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 25/01/2025I really dislike the person that removed the -DGCC_INSTALL_PREFIX from the LLVM build. 110
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 16/01/2025For some reason my ssh connection to Perlmutter dies rather quickly if left unattended. So I'm just clicking space every now and then, making sure my code links. 000
Reposted by Jorge Luis Gálvez VallejoProf. Nicholas Chilton @nfchilton.bsky.social · 08/01/2025Super excited for Prof. Roberta Sessoli to deliver the 2025 Birch Lecture in a month's time! If you are in the region, please do join us. 0122
Reposted by Jorge Luis Gálvez VallejoChemjobber @chemjobber.bsky.social · 07/01/2025The 2025 Chemistry Faculty Jobs List has 460 tenure-track positions and 70 teaching positions: bit.ly/facultychemj... #facultychemjobs chemjobs chemsky 🧪⚗️bit.lyThe 2025 Chemistry Faculty Jobs List 1113
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 07/01/2025Yes. I like my crema with chilaquiles. 000
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 06/01/2025Although I didn't miss the office I did miss my collection of random crap I have on my desk 120
Reposted by Jorge Luis Gálvez VallejoJan H. Jensen @janhjensen.bsky.social · 03/01/2025Spiers Memorial Lecture: Quantum chemistry, classical heuristics, and quantum advantage doi.org/10.1039/D4FD... #compchemdoi.orgSpiers Memorial Lecture: Quantum chemistry, classical heuristics, and quantum advantageWe describe the problems of quantum chemistry, the intuition behind classical heuristic methods used to solve them, a conjectured form of the classical complexity of quantum chemistry problems, and th... 0194
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 01/01/2025First step: getting Magma to work on AMD 000
Reposted by Jorge Luis Gálvez VallejoEPCC @epcc.bsky.social · 18/12/2024The 2025 International HPC Summer School will run from 6-11 July in Lisbon, Portugal. Applications are invited from grad students & post-docs from institutions in Australia, Canada, Europe, Japan & USA. Applications close Jan 31, 2025. buff.ly/4gGt0Yw 132
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 12/12/2024chatGPT seems to be down; the average coding proficiency of the world has been temporarily reset to pre-2022 standards. 000
Reposted by Jorge Luis Gálvez VallejoIda-Marie Høyvik @idamaho.bsky.social · 03/12/2024I love reading «old» books!🌟 I found the best description of the laws of thermodynamics, written by Willis Lamb in 1973. They are as follows: “1) You can’t win. 2) You can only break even at a temperatur of absolute zero. 3) Bets at absolute zero are not permitted” #chemsky #compchem 131
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 03/12/2024Ah yes, a viable point in the potential energy surface...what happens when you mix up the units in your potential calculation... 000
Reposted by Jorge Luis Gálvez VallejoManuel Ortuno @chemortuno.bsky.social · 02/12/2024Interested in doing a PhD/Postdoc in #compchem in Spain? Come and join us! Applications for regional funding are already open: PhD: BSc after Jan 2020, average grade 8 (out of 10). www.gva.es/es/inicio/pr... Postdoc: PhD after Jan 2020 www.gva.es/es/inicio/pr... Deadline Dec 19, contact ASAP 😅 1158
Reposted by Jorge Luis Gálvez VallejoBarca group at UMelb @exess-gbarca.bsky.social · 29/11/2024Hi all, greetings from Australia! We're delighted to announce that on November 21st the team was awarded the Gordon Bell prize from our breakthrough AIMD simulations using MP2 potentials! The software behind this is EXESS, which we're working to make available for free to academics around the world! 1113
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 28/11/2024I thought I'd start simple by writing one for GAMESS which only really depends on MPI. It ended up being very simple but verifying the build was more annoying than setting up the spack! 010
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 28/11/2024Half of making a spack recipe for exess was failing to import the necessary things from the spack backend. Amazing. 010
Reposted by Jorge Luis Gálvez VallejoUnderfox @underfox3.bsky.social · 25/11/2024In this paper is presented OMP4Py, the first pure Python implementation of OpenMP, allowing developers to write parallel code with the same level of control and flexibility as in C, C++, or Fortran. #HPC arxiv.org/pdf/2411.14887 14413
Reposted by Jorge Luis Gálvez VallejoOndřej Čertík @ondrejcertik.bsky.social · 18/11/2024Fortran has fpm (Fortran Package Manager): github.com/fortran-lang..., which is growing in popularity, so the packaging situation is improving. fpm is modeled by Cargo from Rust.github.comGitHub - fortran-lang/fpm: Fortran Package Manager (fpm)Fortran Package Manager (fpm). Contribute to fortran-lang/fpm development by creating an account on GitHub. 082
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social · 25/11/2024Making some progress! Still needs some edge highlighting 000