Skip to content

Commit

Permalink
benchmarks: rename H2O-dft-ls.smaller to H2O-dft-ls.NREP2
Browse files Browse the repository at this point in the history
This will be more sustainable in the long term, in case other
benchmarks sizes are added.
  • Loading branch information
shoshijak authored and dev-zero committed Nov 25, 2019
1 parent 02b65af commit 7f65f3a
Show file tree
Hide file tree
Showing 2 changed files with 1 addition and 1 deletion.
File renamed without changes.
2 changes: 1 addition & 1 deletion benchmarks/QS_DM_LS/README.md
Original file line number Diff line number Diff line change
Expand Up @@ -11,7 +11,7 @@ The problem size can be tuned by the parameter `NREP` in the input file, whereby
## Files Description

- [H2O-dft-ls.inp](H2O-dft-ls.inp): H20 density functional theory linear scaling consisting of 6'144 atoms in a 39 ų box (2'048 water molecules in total). An LDA functional is used with a DZVP MOLOPT basis set and a 300 Ry cut-off.
- [H2O-dft-ls.smaller.inp](H2O-dft-ls.smaller.inp): a smaller version of the H2O-dft-ls benchmark, meant to run on 1 node
- [H2O-dft-ls.NREP2.inp](H2O-dft-ls.NREP2.inp): a smaller version of the H2O-dft-ls benchmark, with NREP=2, meant to run on 1 node
- [TiO2.inp](TiO2.inp)
- [amorph.inp](amorph.inp)

Expand Down

0 comments on commit 7f65f3a

Please sign in to comment.