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  • ELPA installation guide

ELPA installation guide · Changes

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Update ELPA installation guide authored Oct 27, 2021 by Andrzej MakowskI's avatar Andrzej MakowskI
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ELPA-installation-guide.md
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...@@ -148,10 +148,7 @@ git clone https://gitlab.mpcdf.mpg.de/elpa/elpa.git ...@@ -148,10 +148,7 @@ git clone https://gitlab.mpcdf.mpg.de/elpa/elpa.git
# go to elpa lib # go to elpa lib
cd elpa cd elpa
# prepare for building ./configure --prefix=/projappl/project_465000014/share/elpa/elpa-2021.05.002 FC=ftn CC=cc FCFLAGS="-O2" CFLAGS="-O2" LDFLAGS="-L${CRAY_LIBSCI_PREFIX}/lib -lsci_cray_mpi -lsci_cray" -disable-avx512 --disable-openmp --enable-static --enable-c-tests=no
mkdir build && cd build
./configure --prefix=/projappl/project_465000014/share/elpa/elpa-2021.05.002 FC=ftn CC=cc FCFLAGS="-O2 -ffree-line-length-none" CFLAGS="-O2" LDFLAGS="-L${CRAY_LIBSCI_PREFIX}/lib -lsci_cray_mpi -lsci_cray" -disable-avx512 --disable-openmp --enable-static --enable-c-tests=no
# build # build
make make
......
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  • 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
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