Skip to content

Commit

Permalink
Start of MPI parallel examples
Browse files Browse the repository at this point in the history
  • Loading branch information
bhourahine committed May 23, 2022
1 parent 59c476d commit 03d1612
Show file tree
Hide file tree
Showing 3 changed files with 15 additions and 17 deletions.
17 changes: 0 additions & 17 deletions docs/parallel/benchmarking.rst
Original file line number Diff line number Diff line change
Expand Up @@ -112,20 +112,3 @@ Weak scaling from the same data set is shown here
:height: 40ex
:align: center
:alt: Weak scaling for some SiC supercells.


Distributed memory parallelism
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^

This section coming soon!

Topics to be discussed:

* Parallel scaling of simple examples.

* Parallel efficiency.

* Use of the `Groups` keyword in DFTB+ to improve scaling and efficiency for
calculations with spin polarisation and/or k-points.

* Effects of latency on code performance.
1 change: 1 addition & 0 deletions docs/parallel/index.rst
Original file line number Diff line number Diff line change
Expand Up @@ -11,3 +11,4 @@ Parallel usage of DFTB+
amdahl.rst
compiling.rst
benchmarking.rst
mpi.rst
14 changes: 14 additions & 0 deletions docs/parallel/mpi.rst
Original file line number Diff line number Diff line change
@@ -0,0 +1,14 @@
MPI parallel calculations
=========================


Groups
------

* Use of the `Groups` keyword in DFTB+ to improve scaling and efficiency for
calculations with spin polarisation and/or k-points.


ELSI solvers
------------

0 comments on commit 03d1612

Please sign in to comment.