Monthly ELSI coordination video meetings are held between the core participating teams. Contact us to join the meeting!
[2018-10-23] An update release, ELSI v2.1.0, is now available on the Download page. This release adds support for linear scaling density matrix purification algorithms in the NTPoly library. Additional improvements are summarized in the Changelog. We welcome your feedback and suggestions, as always.
[2018-08-17] The ELSI Workshop “Solving or Circumventing Eigenvalue Problems in Electronic Structure Theory” was held in collaboration with MolSSI from August 15-17 in Richmond, VA, USA. More information, including slides from the presentations given, may be found at the conference website.
[2018-08-07] The NTPoly library was integrated with ELSI. NTPoly is a massively parallel library for computing the functions of sparse matrices, enabling linear scaling density matrix purification methods in ELSI.
[2018-06-27] Victor Yu presented a performance comparison between conventional dense direct eigensolvers and alternative electronic structure solvers at the 10th International Workshop on Parallel Matrix Algorithms and Applications in Zurich, Switzerland.
[2018-06-22] An update release, ELSI v2.0.2, is now available on the Download page. Bug fixes and known issues in this release may be found in the Changelog. We welcome your feedback and suggestions, as always.
[2018-06-13] An update release, ELSI v2.0.1 (we moved to the semantic versioning scheme), is now available on the Download page. Bug fixes and known issues in this release may be found in the Changelog. We welcome your feedback and suggestions, as always.
[2018-05-22] We are pleased to announce the release of ELSI 2018.05 (release candidate; v2.0.0). Source code and users’ guide of this release may be found on the Download page. This release adds support for spin-polarized calculations and periodic calculations with multiple k-points. Additional new features and improvements are summarized in the Changelog. As we are working towards the final release of ELSI 2018.05, we look forward to your feedback and suggestions.
[2018-05-21] An ELSI workshop is planned for summer 2018. This meeting will be open to the community and is intended to foster discussion in computational linear algebra and strategies to address or circumvent the Kohn-Sham eigenvalue problem. Stay tuned!
[2018-05-06] Volker Blum discussed the status and latest developments of the ELSI project at the SIAM Conference on Applied Linear Algebra (SIAM-ALA18) in Hong Kong, China.
[2018-04-27] We have opened up the ELSI GitLab server to the general public; anyone can now anonymously clone and pull the latest development branch of ELSI! Feel free to contact us for an account if you would like to submit your own changes to ELSI.
[2018-03-21] Victor Yu presented a poster summarizing the status of ELSI at the 255th ACS National Meeting & Exposition in New Orleans, LA. A PDF version is available here.
[2018-03-08] Volker Blum introduced the concepts and present status of the ELSI project at the SIAM Conference on Parallel Processing for Scientific Computing (SIAM-PP18) in Tokyo, Japan.
[2018-03-05] William Huhn discussed continuing work on the ELSI interface and the first steps towards a decision layer at the APS March Meeting 2018 in Los Angeles, CA. His slides may be found here.
[2018-02-05] The Electronic Structure Library Coding Workshop: ESL Demonstrator workshop was held in Lausanne, Switzerland from February 5-16, 2018. Participants from the ELSI team included Volker Blum, Fabiano Corsetti, Alberto Garcia, Yingzhou Li, and Victor Yu. Integration into the ESL Bundle and the ESL Demonstrator, SIESTA support, and implementation of a CMake-based build system were initiated during this workshop.
[2018-01] The first ELSI publication (ELSI: A Unified Software Interface for Kohn-Sham Electronic Structure Solvers) is official.
[2017-12-06] Victor Yu attended the CHPC (South African Centre for High-Performance Computing) National Conference 2017 in Pretoria, South Africa. The ELSI interface and the supported solvers were introduced to the HPC players in Africa.
[2017-10-22] A brand-new version of PEXSI, PEXSI v1.0, was released. In this update, the number of poles used by the pole expansion method can be reduced by a factor of 4. New functionalities of this PEXSI release have been integrated into ELSI.
[2017-10-09] An ELSI overview talk was presented by the ELSI team at the Molecular Sciences Software Institute (MolSSI).
[2017-09-22] The ELPA connector in ELSI was upgraded to the 2016.11.001 release. Kernels written with AVX512 instructions were added in this update.
[2017-08-16] The ELSI Connector Meeting 2017 was held at Duke University on August 16th, 2017.
[2017-07-10] The Electronic Structure Library Coding Workshop: Drivers workshop was held in Trieste, Italy from July 10-21, 2017. Participants from the ELSI team included Volker Blum, Fabiano Corsetti, William Huhn, and Victor Yu. The implementation of spin channels and k-points in ELSI was initiated during this workshop.
[2017-05-31] ELSI Interface 2017.05 was released today!
[2017-04-11] The ELPA connector in ELSI was upgraded to the 2016.11.001.pre release. The stability of ELPA and its performance on hybrid CPU/GPU and multi-core architectures are being continuously improved, thanks to the Max Planck Computing and Data Facility (MPCDF) and their collaborators.
[2017-03-13] Victor Yu discussed the ELSI interface and its philosophy at the APS March Meeting 2017 in New Orleans, LA. His slides may be found here. William Huhn also showed results on GPU-accelerated architectures using ELSI. His slides may be found here.
[2017-02-21] A poster detailing the ELSI interface was presented at the 2017 NSF Software Infrastructure for Sustained Innovation (SI2) Principal Investigator Conference. A PDF version is available here.
[2016-12-14] A GitLab CI was set up to perform continuous integration on the ELSI development repository.
[2016-11-08] A new version of PEXSI, v0.10.1, was released. This update extends support to complex Hermitian Hamiltonian and overlap matrices. New functionalities of this PEXSI release have been integrated into ELSI.
[2016-08-19] The ELSI Connector Meeting 2016 was held at University of California, Berkeley. This meeting included the core participating teams of ELSI and its stakeholder groups.
[2016-06-17] The Electronic Structure Library Coding Workshop: Solvers workshop, co-organized by Volker Blum and Fabiano Corsetti, was held in Zaragoza, Spain from June 6-17, 2016. Participants from the ELSI team also included William Huhn and Victor Yu. The integration of libOMM into ELSI was completed during the workshop.
[2015-08-28] The ELSI Kickoff Meeting was held at Duke University.