From SNIC Documentation
SIESTA (Spanish Initiative for Electronic Simulations with Thousands of Atoms) is a density-functional theory code for very large systems based on atomic orbital basis sets.
|Abisko||HPC2N||capability resource of 153 TFLOPS with full bisectional infiniband interconnect|
|Akka||HPC2N||capability cluster resource of 54 TFLOPS with infiniband interconnect|
|Beda||C3SE||throughput cluster resource|
|Kappa||NSC||throughput cluster resource of 26 TFLOPS|
|Matter||NSC||cluster resource of 37 TFLOPS dedicated to materials science|
|Triolith||NSC||Capability cluster with 338 TFLOPS peak and 1:2 Infiniband fat-tree|
License: Requires license.
The SIESTA code is distributed under a "free for academic use"-license.
ExpertsNo experts have currently registered expertise on this specific subject. List of registered field experts:
|Field||AE FTE||General activities|
|Erik Fransson (C3SE)||C3SE||Computational materials science||100100||Various modification and analysis tool development|
|Johan Raber (NSC)||NSC||Computational chemistry||5050|
|Michael Stenrup (UPPMAX)||UPPMAX||Computational chemistry||2525|
|Pavlin Mitev (UPPMAX)||UPPMAX||Computational materials science||4545|
|Torben Rasmussen (NSC)||NSC||Computational chemistry||100100||Application expert coordinator (25% FTE).
Installation and support of computational chemistry software.
Snicdocs editing and development.
|Weine Olovsson (NSC)||NSC||Computational materials science||9090||Application support, installation and help|