(under provided license)
Description
Siesta (Spanish Initiative for Electronic Simulations with Thousands of Atoms) is both a method and its computer program implementation, to perform electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids.
Installations
MareNostrum 4:Versions:
PSML-R1
MaX-1.0.1
MaX-1.0-17--genq-lua-2
MaX-1
4.1b4-trunk-elsi-dm
4.1b4-trunk-750
4.1b4
4.1.5
4.1-b3_elpa
4.1-b3
4.1-b2
4.0.2
MinoTauro:
Versions:
4.1-b2
3.1
CTE-AMD:
Versions:
4.1-b4
Nord3:
Versions:
trunk-449
4.1-b2
3.2-pl4
3.2
3.1
3.0.8-ldau
2.0.2