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SIESTA  performs efficient electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids.


Example jobs

There are example Siesta jobs on Bridges-2 in directory /opt/packages/examples/Siesta for you to try.



To see what versions of SIESTA are available, and if there is more than one, which is the default, along with some help, type

module spider Siesta

To see what other modules are needed, what commands are available and how to get additional help type

module help Siesta

To use SIESTA, include a command like this in your batch script or interactive session to load the SIESTA module and the intel-oneapi module.

module load intel-oneapi Siesta

Note: You must also load the intel-oneapi module , as listed by the module help Siesta command.