quantum-espresso/.ci/cineca.yml

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2.9 KiB
YAML

# ====================
# UtilXlib UnitTesting
# ====================
build:cudampiomp:
tags: [galileo]
only:
- /utilxlib/i
script:
- module load profile/advanced pgi/17.10 cuda/8.0.61
- ./configure --enable-openmp
- cd UtilXlib/tests
- bash compile_and_run_tests.sh -smcn
build:intelmpiomp:
tags: [galileo]
only:
- /utilxlib/i
script:
- module load profile/advanced intel intelmpi
- ./configure --enable-openmp
- cd UtilXlib/tests
- bash compile_and_run_tests.sh -sm
build:cudampi:
tags: [galileo]
only:
- /utilxlib/i
script:
- module load profile/advanced pgi/17.10 cuda/8.0.61
- ./configure
- cd UtilXlib/tests
- bash compile_and_run_tests.sh -smcn
build:intelmpi:
tags: [galileo]
only:
- /utilxlib/i
script:
- module load profile/advanced intel intelmpi
- ./configure
- cd UtilXlib/tests
- bash compile_and_run_tests.sh -sm
build:pw:
image: ubuntu:latest
script:
- apt-get update
- apt-get install --yes build-essential gfortran wget python
- apt-get install --yes libopenmpi-dev openmpi-bin
- apt-get install --yes libblas-dev liblapack-dev fftw3 fftw3-dev pkg-config
- ./configure
- make pw
# - export OMP_NUM_THREADS=1
# - cd test-suite
# - mkdir /tmp/save
# - make run-tests-pw-serial
# - rm -r /tmp/save
build:cp:
image: ubuntu:latest
script:
- apt-get update
- apt-get install --yes build-essential gfortran wget python
- apt-get install --yes libopenmpi-dev openmpi-bin
- apt-get install --yes libblas-dev liblapack-dev fftw3 fftw3-dev pkg-config
- ./configure
- make cp
# - export OMP_NUM_THREADS=1
# - cd test-suite
# - mkdir /tmp/save
# - make run-tests-cp-serial
# - rm -r /tmp/save
#### BUILDS ON GALILEO ####
build:intel:
tags: [galileo]
script:
- module purge
- module load intel/pe-xe-2018--binary intelmpi/2018--binary mkl/2018--binary
- module list
- ./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
pgi cuda mpi:
tags: [k80]
script:
- module purge
- module load profile/global pgi/17.10 mkl/2018--binary cuda/8.0.61
- ./configure --enable-openmp --with-cuda-runtime=8.0 --with-cuda-cc=35 --with-cuda=$CUDA_HOME --with-scalapack=no
- make -j pw
- if [ -z ${SLURM_CPUS_PER_TASK} ]; then export OMP_NUM_THREADS=1; else export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK; fi
- echo "Using $SLURM_NTASKS procs and $OMP_NUM_THREADS threads"
- cd test-suite
- sed -i "s/TESTCODE_NPROCS=4/TESTCODE_NPROCS=$SLURM_NTASKS/" ENVIRONMENT
- make clean
- make run-tests-pw-parallel
- sed -i 's/export PARA_POSTFIX=" "/export PARA_POSTFIX=" -pd=.true."/g' run-pw.sh
- make clean && make run-tests-pw-parallel