tools/jenkins/ci-bigdft.sh

   1 #!/usr/bin/env sh
   2 set -ex
   3 export OMP_NUM_THREADS=1
   4 SUDO="" # to ease the local testing
   5 $SUDO apt-get -y update
   6 $SUDO apt-get -y install git build-essential gfortran python-is-python3 python3-six python3-distutils automake cmake libboost-dev libblas-dev liblapack-dev wget
   7
   8 git clone --depth=1 https://gitlab.com/l_sim/bigdft-suite.git
   9 cd bigdft-suite
  10
  11 WORKSPACE=`pwd`
  12 mkdir build && cd build
  13 export PATH=$PWD/simgrid-dev/smpi_script/bin/:$PATH
  14 export LD_LIBRARY_PATH=$PWD/simgrid-dev/lib/:$LD_LIBRARY_PATH
  15 export JHBUILD_RUN_AS_ROOT=1
  16
  17 ../Installer.py autogen -y
  18
  19 ../Installer.py -f ../../tools/jenkins/gfortran-simgrid.rc -y build
  20
  21 #cubic version
  22 cd ../bigdft/tests/DFT/cubic/C
  23 smpirun -hostfile $WORKSPACE/simgrid-dev/examples/smpi/hostfile -platform $WORKSPACE/simgrid-dev/examples/platforms/small_platform.xml -np 8 $WORKSPACE/build/install/bin/bigdft -l no
  24
  25 #Psolver checking with smpi_shared_malloc
  26 cd $WORKSPACE/build/psolver/tests
  27 make FC=smpif90 PS_Check
  28 smpirun -hostfile $WORKSPACE/simgrid-dev/examples/smpi/hostfile -platform $WORKSPACE/simgrid-dev/examples/platforms/small_platform.xml -np 4 ./PS_Check -n [57,48,63] -g F
  29
  30 #linear scaling version (heavy, might swap)
  31 cd $WORKSPACE/bigdft/tests/DFT/linear/surface
  32 smpirun -hostfile $WORKSPACE/simgrid-dev/examples/smpi/hostfile -platform $WORKSPACE/simgrid-dev/examples/platforms/small_platform.xml -np 4 $WORKSPACE/build/install/bin/bigdft -n graphene -l no
  33
  34 cd $WORKSPACE/build
  35 ../Installer.py -f ../../tools/jenkins/gfortran-simgrid.rc -y clean