Last June 2018, 4th to 7th, ELIXIR Europe run its annual all-hands meeting. Members from across the ELIXIR Nodes (with more than 20 countries) joint together to review achievements and activities from last year and discuss plans for the future. The venue for this year’s event was one of the […]
We are proud to announce the new release 2.3 of COMPSs, codename Daisy. This release updates COMPSs with the following main features: New features: Runtime: Persistent storage API implementation based on Redis (distributed as default implementation with COMPSs) Support for FPGA constraints and reconfiguration scripts Support for PBS Job Scheduler […]
BioExcel continues its direct support to industry through site visits. In early March we were pleased to participate in an exciting day of collaborative talks hosted by Janssen at their research site in Beerse, Belgium. The morning comprised of presentations by Janssen’s Computational Chemistry group, led by Herman van Vlijmen […]
The official release of GROMACS 2018 is now available. What new things can you expect? Please see the release notes highlights at http://manual.gromacs.org/documentation/2018/release-notes/index.html. You can find the code, manual, release notes, installation instructions and test suite at the links below. Code: ftp://ftp.gromacs.org/pub/gromacs/gromacs-2018.tar.gz Documentation: http://manual.gromacs.org/documentation/2018/index.html (includes install guide, user guide, reference […]
The official release of GROMACS 5.1.5 is available! This release fixes a few code issues found since 5.1.4, in particular that PME tuning with the group scheme had been working incorrectly (and is now disabled). We encourage all users of the 5.1 series to update to 5.1.5. Please see the […]
We are thrilled about the Nobel Prize for Chemistry 2017 being awarded to Cryo-EM, and send our warmest congratulations to Jacques Dubochet, Joachim Frank and Richard Henderson. We are also excited that BioExcel has been able to contribute to the field through the development of the RELION program at Cambridge […]