mirror of https://gitlab.com/QEF/q-e.git
162 lines
5.4 KiB
YAML
162 lines
5.4 KiB
YAML
#build:pw:
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# tags: [docker]
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# image: ubuntu:18.04
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# script:
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# - apt-get -qq update
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# - apt-get -qq install m4 make wget curl git gfortran gcc libopenblas-dev libfftw3-dev libopenmpi-dev
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# - ./configure
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# - make pw
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## - export OMP_NUM_THREADS=1
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## - cd test-suite
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## - mkdir /tmp/save
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## - make run-tests-pw-serial
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## - rm -r /tmp/save
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#build:cp:
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# tags: [docker]
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# image: ubuntu:18.04
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# script:
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# - apt-get -qq update
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# - apt-get -qq install m4 make wget curl git gfortran gcc libopenblas-dev libfftw3-dev libopenmpi-dev
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# - ./configure
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# - make cp
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## - export OMP_NUM_THREADS=1
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## - cd test-suite
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## - mkdir /tmp/save
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## - make run-tests-cp-serial
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## - rm -r /tmp/save
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#build:ph:
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# tags: [docker]
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# image: espressofoundation/ubuntu:latest
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# script:
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# - ./configure
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# - make ph
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# - export OMP_NUM_THREADS=1
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# - cd test-suite
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# - mkdir /tmp/save
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# - make run-tests-ph-serial
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# - rm -r /tmp/save
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#build:cmake-gnu:
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# tags: [docker]
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# image: ubuntu:20.04
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# variables:
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# DEBIAN_FRONTEND: "noninteractive"
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# script:
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# - apt-get -qq update
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# - apt-get -qq install apt-transport-https ca-certificates gnupg software-properties-common wget
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# - 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
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# - apt-add-repository 'deb https://apt.kitware.com/ubuntu/ focal main'
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# - apt-get install -qq build-essential git cmake libopenblas-dev libfftw3-dev libopenmpi-dev
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# - cmake --version
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# - mkdir build
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# - cd build
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# - cmake -DBUILD_SHARED_LIBS=ON -DCMAKE_Fortran_COMPILER=mpif90 -DCMAKE_C_COMPILER=mpicc
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# -DMPIEXEC_PREFLAGS="--allow-run-as-root;--oversubscribe" .. && make
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# && make pw ph hp pwcond neb pp pwall cp tddfpt gwl ld1 upf xspectra couple epw all_currents
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# && ctest -L unit --output-on-failure
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# - make install DESTDIR=`pwd`/install_root
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build:cmake-gnu-brenta:
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tags: [brenta]
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script:
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- module load git cmake gnu8 openmpi3 mkl
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- module list 2> checkmoduli
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- cmake --version
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- mkdir build
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- cd build
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- cmake -DBUILD_SHARED_LIBS=ON -DCMAKE_Fortran_COMPILER=mpif90 -DCMAKE_C_COMPILER=mpicc
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-DMPIEXEC_PREFLAGS="--allow-run-as-root;--oversubscribe" .. && make -j
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&& make -j pw ph hp pwcond neb qe_pp cp tddfpt gwl ld1 upf xspectra couple epw all_currents
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&& ctest -L unit --output-on-failure
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#build:pgi:
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# tags: [docker]
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# image: nvcr.io/nvidia/nvhpc:20.9-devel-ubuntu20.04
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# script:
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# - apt-get -qq update
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# - apt-get -qq install ca-certificates git m4
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# - ./configure FC=pgf90 F90=pgf90 F77=pgfortran MPIF90=mpif90 --enable-openmp --with-cuda=yes --enable-cuda-env-check=no
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# - make pw cp ph
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build:pgi-brenta:
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tags: [brenta]
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script:
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- module load git
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- export PATH=/scratch/pdelugas/nvidia/hpc_sdk//Linux_x86_64/22.7/compilers/bin:$PATH
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- export PATH=/scratch/pdelugas/nvidia/hpc_sdk//Linux_x86_64/22.7/comm_libs/mpi/bin:$PATH
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- ./configure FC=pgf90 F90=pgf90 F77=pgfortran MPIF90=mpif90 --enable-openmp --with-cuda=yes --enable-cuda-env-check=no --with-cuda-runtime=11.7
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- make -j pw cp ph
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- make distclean
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#
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#build:cmake-nvhpc:
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# tags: [docker]
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# image: nvcr.io/nvidia/nvhpc:21.2-devel-cuda11.2-ubuntu20.04
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# variables:
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# DEBIAN_FRONTEND: "noninteractive"
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# script:
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# - apt-get -qq update
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# - apt-get -qq install apt-transport-https ca-certificates gnupg software-properties-common wget
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# - 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
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# - apt-add-repository 'deb https://apt.kitware.com/ubuntu/ focal main'
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# - apt-get install -qq git cmake libfftw3-dev
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# - cmake --version
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# - mkdir build
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# - cd build
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# - cmake -DBUILD_SHARED_LIBS=OFF -DCMAKE_Fortran_COMPILER=mpif90 -DCMAKE_C_COMPILER=mpicc
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# -DQE_ENABLE_CUDA=ON -DQE_ENABLE_OPENACC=ON -DNVFORTRAN_CUDA_CC=70 .. && make
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#
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#build:cmake-nvhpc-nocuda:
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# tags: [docker]
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# image: nvcr.io/nvidia/nvhpc:21.2-devel-cuda11.2-ubuntu20.04
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# variables:
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# DEBIAN_FRONTEND: "noninteractive"
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# script:
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# - apt-get -qq update
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# - apt-get -qq install apt-transport-https ca-certificates gnupg software-properties-common wget
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# - 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
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# - apt-add-repository 'deb https://apt.kitware.com/ubuntu/ focal main'
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# - apt-get install -qq git cmake libfftw3-dev
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# - cmake --version
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# - mkdir build
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# - cd build
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# - cmake -DBUILD_SHARED_LIBS=ON -DCMAKE_Fortran_COMPILER=mpif90 -DCMAKE_C_COMPILER=mpicc
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# -DQE_ENABLE_CUDA=OFF -DQE_ENABLE_OPENACC=OFF .. && make
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#build:centos:
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# image: centos:latest
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# script:
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# - yum -y groupinstall "Development Tools"
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# - yum -y install wget which python27
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# - ./configure
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# - make all
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# - export OMP_NUM_THREADS=1
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# - cd test-suite
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# - mkdir /tmp/save
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# - make run-tests-serial
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# - rm -r /tmp/save
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#### BUILDS ON GALILEO ####
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#build:intel:
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# tags: [galileo]
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# script:
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# - module load intel/pe-xe-2017--binary intelmpi/2017--binary mkl/2017--binary
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# - ./configure --enable-openmp
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# - make pw cp
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# - export OMP_NUM_THREADS=2
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# - cd test-suite
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# - mkdir -p /tmp/save
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# - make run-tests-pw-parallel
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# - make run-tests-cp-parallel
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# - rm -r /tmp/save
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