New Software Release: COMPSs 2.3

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 […]

Supporting the Pharmaceutical Industry: BioExcel experts visit Janssen’s R&D site in Belgium

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 […]

GROMACS 2018 official release

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 […]

GROMACS 5.1.5 is out

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 […]