quantum-espresso/.gitlab-ci-main.yml

110 lines
3.4 KiB
YAML

include: '.gitlab-ci.yml'
build:pw:
tags: [gitlab-org-docker]
image: ubuntu:20.04
script:
- apt-get -qq update
- DEBIAN_FRONTEND=noninteractive TZ=Etc/UTC apt-get -y install tzdata
- apt-get -qq install m4 make wget curl git gfortran gcc libopenblas-dev libfftw3-dev libopenmpi-dev
- ./configure
- make -j 2 pw
# - export OMP_NUM_THREADS=1
# - cd test-suite
# - mkdir /tmp/save
# - make run-tests-pw-serial
# - rm -r /tmp/save
build:cp:
tags: [gitlab-org-docker]
image: ubuntu:20.04
script:
- apt-get -qq update
- DEBIAN_FRONTEND=noninteractive TZ=Etc/UTC apt-get -y install tzdata
- apt-get -qq install m4 make wget curl git gfortran gcc libopenblas-dev libfftw3-dev libopenmpi-dev
- ./configure
- make -j 2 cp
# - export OMP_NUM_THREADS=1
# - cd test-suite
# - mkdir /tmp/save
# - make run-tests-cp-serial
# - rm -r /tmp/save
build:cmake-nvhpc:
tags: [gitlab-org-docker]
image: nvcr.io/nvidia/nvhpc:21.2-devel-cuda11.2-ubuntu20.04
variables:
DEBIAN_FRONTEND: "noninteractive"
script:
- apt-get -qq update
- apt-get -qq install apt-transport-https ca-certificates gnupg software-properties-common wget
- wget -O - https://apt.kitware.com/keys/kitware-archive-latest.asc 2>/dev/null | gpg --dearmor - | tee /etc/apt/trusted.gpg.d/kitware.gpg >/dev/null
- apt-add-repository 'deb https://apt.kitware.com/ubuntu/ focal main'
- apt-get install -qq git cmake libfftw3-dev
- cmake --version
- mkdir build
- cd build
- cmake -DBUILD_SHARED_LIBS=OFF -DCMAKE_Fortran_COMPILER=mpif90 -DCMAKE_C_COMPILER=mpicc
-DQE_ENABLE_CUDA=ON -DQE_ENABLE_OPENACC=ON -DNVFORTRAN_CUDA_CC=70 .. && make -j 4
build:cmake-nvhpc-nocuda:
tags: [gitlab-org-docker]
image: nvcr.io/nvidia/nvhpc:21.2-devel-cuda11.2-ubuntu20.04
variables:
DEBIAN_FRONTEND: "noninteractive"
script:
- apt-get -qq update
- apt-get -qq install apt-transport-https ca-certificates gnupg software-properties-common wget
- wget -O - https://apt.kitware.com/keys/kitware-archive-latest.asc 2>/dev/null | gpg --dearmor - | tee /etc/apt/trusted.gpg.d/kitware.gpg >/dev/null
- apt-add-repository 'deb https://apt.kitware.com/ubuntu/ focal main'
- apt-get install -qq git cmake libfftw3-dev
- cmake --version
- mkdir build
- cd build
- cmake -DBUILD_SHARED_LIBS=ON -DCMAKE_Fortran_COMPILER=mpif90 -DCMAKE_C_COMPILER=mpicc
-DQE_ENABLE_CUDA=OFF -DQE_ENABLE_OPENACC=OFF .. && make -j 2
#build:ph:
# tags: [docker]
# image: espressofoundation/ubuntu:latest
# script:
# - ./configure
# - make ph
# - export OMP_NUM_THREADS=1
# - cd test-suite
# - mkdir /tmp/save
# - make run-tests-ph-serial
# - rm -r /tmp/save
#build:centos:
# image: centos:latest
# script:
# - yum -y groupinstall "Development Tools"
# - yum -y install wget which python27
# - ./configure
# - make all
# - export OMP_NUM_THREADS=1
# - cd test-suite
# - mkdir /tmp/save
# - make run-tests-serial
# - rm -r /tmp/save
#### BUILDS ON GALILEO ####
#build:intel:
# tags: [galileo]
# script:
# - module load intel/pe-xe-2017--binary intelmpi/2017--binary mkl/2017--binary
# - ./configure --enable-openmp
# - make pw cp
# - export OMP_NUM_THREADS=2
# - cd test-suite
# - mkdir -p /tmp/save
# - make run-tests-pw-parallel
# - make run-tests-cp-parallel
# - rm -r /tmp/save