Skip to content

GitLab

  • Menu
Projects Groups Snippets
    • Loading...
  • Help
    • Help
    • Support
    • Community forum
    • Submit feedback
    • Contribute to GitLab
  • Sign in
  • wslda wslda
  • Project information
    • Project information
    • Activity
    • Labels
    • Members
  • Repository
    • Repository
    • Files
    • Commits
    • Branches
    • Tags
    • Contributors
    • Graph
    • Compare
  • Issues 0
    • Issues 0
    • List
    • Boards
    • Service Desk
    • Milestones
  • Merge requests 0
    • Merge requests 0
  • CI/CD
    • CI/CD
    • Pipelines
    • Jobs
    • Schedules
  • Deployments
    • Deployments
    • Environments
    • Releases
  • Monitor
    • Monitor
    • Incidents
  • Packages & Registries
    • Packages & Registries
    • Package Registry
    • Container Registry
    • Infrastructure Registry
  • Analytics
    • Analytics
    • CI/CD
    • Repository
    • Value stream
  • Wiki
    • Wiki
  • Snippets
    • Snippets
  • Activity
  • Graph
  • Create a new issue
  • Jobs
  • Commits
  • Issue Boards
Collapse sidebar
  • wtools
  • wsldawslda
  • Wiki
  • Parallelization scheme of static codes

Parallelization scheme of static codes · Changes

Page history
Update Parallelization scheme of static codes authored Jan 27, 2021 by Gabriel Wlazłowski's avatar Gabriel Wlazłowski
Hide whitespace changes
Inline Side-by-side
Parallelization-scheme-of-static-codes.md
View page @ 5c7a516a
...@@ -60,7 +60,7 @@ and we execute code with `np=24` processes: ...@@ -60,7 +60,7 @@ and we execute code with `np=24` processes:
```bash ```bash
mpirun -np 24 ./st-wslda-3d input.txt mpirun -np 24 ./st-wslda-3d input.txt
``` ```
For these settings, the single interaction requires $NZ/2=6$ diagonalizations. The total set of processes will be dived into subgroups, each of size `p*q=6`. Thus the number of subgroups will be `24/6=4`. Each submatrix will be decomposed in block-cyclic fashion among `p*q` processes as in 3D case. For these settings, the single iteration requires `NZ/2=6` diagonalizations. The total set of processes will be dived into subgroups, each of size `p*q=6`. Thus the number of subgroups will be `24/6=4`. Each submatrix will be decomposed in block-cyclic fashion among `p*q` processes as in 3D case.
This information is provided in the code output: This information is provided in the code output:
``` ```
# CODE: ST-WSLDA-2D # CODE: ST-WSLDA-2D
...@@ -81,7 +81,7 @@ This information is provided in the code output: ...@@ -81,7 +81,7 @@ This information is provided in the code output:
# CREATING CBLACS GRIDs OF SIZE (pzheev): [2 x 3] # CREATING CBLACS GRIDs OF SIZE (pzheev): [2 x 3]
``` ```
Note that here hamiltonian size means the size of submatrix `160=2*8*10`. Note that here hamiltonian size means the size of submatrix `160=2*8*10`.
The computation process for single interaction is presented schematically in the figure below: The computation process for single iteration is presented schematically in the figure below:
![pscheme-2d](uploads/4792eecc243913bfd2e18d0fef09c90e/pscheme-2d.png) ![pscheme-2d](uploads/4792eecc243913bfd2e18d0fef09c90e/pscheme-2d.png)
and it is reflected in the code output: and it is reflected in the code output:
......
Clone repository
  • API version
  • Automatic interpolations
  • Auxiliary tools
  • Browsing the code
  • Broyden algorithm
  • C and CUDA
  • Campaign of calculations
  • Checking correctness of settings
  • Chemical potentials control
  • Code & Results quality
  • Common failures of static codes
  • Common failures of time dependent codes
  • Computation domain
  • Configuring GPU machine
  • Constraining densities and potentials
View All Pages