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
  • ELPA installation guide

ELPA installation guide · Changes

Page history
Update ELPA installation guide authored Sep 14, 2021 by Gabriel Wlazłowski's avatar Gabriel Wlazłowski
Hide whitespace changes
Inline Side-by-side
ELPA-installation-guide.md
View page @ c61cfb43
Below we provide examples of compilation process in on selected systems
[[_TOC_]]
# Installation on [Summit](https://www.olcf.ornl.gov/summit/)
## Notes by Victor Wen-zhe Yu:
* [Installation on Summit](https://git.elsi-interchange.org/elsi-devel/elsi-interface/-/wikis/install-elpa)
......@@ -101,5 +104,36 @@ mkdir build && cd build
make
make install
```
# Installation on [Eagle](https://wiki.man.poznan.pl/kdm/index.php?title=Eagle)
```bash
module load impi/2020.4.912
module load mkl/2020.0.4
module load cudatoolkit/8.0.61-21551265
module load gcc/4.8.2-14
# get the latest version of elpa
git clone https://gitlab.mpcdf.mpg.de/elpa/elpa.git
# go to elpa lib
cd elpa
# prepare for compilation
libtoolize
aclocal
autoheader
./autogen.sh
# prepare for building
mkdir build && cd build
../configure --prefix="/home/users/gabrielw/grant_518/project_data/share/elpa" --enable-static CXX=mpiicpc CC=mpiicc FC=mpiifort CPP=cpp FCPP=cpp LIBS="-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl -mkl=cluster" FCFLAGS="-mkl=cluster -O3 -xAVX2" CFLAGS="-mkl=cluster -qopenmp -O3 -xAVX2" --enable-gpu --with-cuda-path=${CUDA_PATH} --with-GPU-compute-capability=sm_60
# build
make
# install
make install
```
\ No newline at end of file
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