mirror of https://gitlab.com/QEF/q-e.git
185 lines
6.9 KiB
YAML
185 lines
6.9 KiB
YAML
build:pw:
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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 pw
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#### BUILDS ON GALILEO ####
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intel parallel:
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tags: [intel]
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script:
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- module purge
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- module load intel/pe-xe-2018--binary intelmpi/2018--binary mkl/2018--binary python
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- ./configure --enable-openmp
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- make -j pw cp
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- if [ -z ${SLURM_CPUS_PER_TASK} ]; then export OMP_NUM_THREADS=1; else export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK; fi
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- echo "Using $SLURM_NTASKS procs and $OMP_NUM_THREADS threads"
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- cd test-suite
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- sed -i "s/TESTCODE_NPROCS=4/TESTCODE_NPROCS=$SLURM_NTASKS/" ENVIRONMENT
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- make clean
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- make run-tests-pw-parallel
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- sed -i 's/export PARA_POSTFIX=" "/export PARA_POSTFIX=" -pd=.true."/g' run-pw.sh
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- make clean && make run-tests-pw-parallel
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pgi parallel k80:
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tags: [k80]
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script:
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- module purge
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- module load profile/global hpc-sdk/20.9--binary mkl/2019--binary python
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- ./configure --enable-openmp --with-cuda-runtime=10.1 --with-cuda-cc=35 --with-cuda=yes --enable-cuda-env-check=no --with-scalapack=no
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- make -j pw cp
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- if [ -z ${SLURM_CPUS_PER_TASK} ]; then export OMP_NUM_THREADS=1; else export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK; fi
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- echo "Using $SLURM_NTASKS procs and $OMP_NUM_THREADS threads"
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- cd test-suite
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- sed -i "s/TESTCODE_NPROCS=4/TESTCODE_NPROCS=$SLURM_NTASKS/" ENVIRONMENT
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- make clean
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- make run-tests-pw-parallel
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- sed -i 's/export PARA_POSTFIX=" "/export PARA_POSTFIX=" -pd=.true."/g' run-pw.sh
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- make clean && make run-tests-pw-parallel
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- cd .. && cp PW/src/pw.x ./pwgpu-mpi-cuda8-cc35-${CI_COMMIT_SHA:0:8}.x
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pgi parallel v100:
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tags: [galileo,v100]
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script:
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- module purge
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- module load profile/global hpc-sdk/20.9--binary mkl/2019--binary cuda/10.1 python
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- ./configure --enable-openmp --with-cuda-runtime=10.1 --with-cuda-cc=70 --with-cuda=$CUDA_HOME --with-scalapack=no
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- make -j pw cp
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- if [ -z ${SLURM_CPUS_PER_TASK} ]; then export OMP_NUM_THREADS=1; else export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK; fi
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- echo "Using $SLURM_NTASKS procs and $OMP_NUM_THREADS threads"
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- cd test-suite
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- sed -i "s/TESTCODE_NPROCS=4/TESTCODE_NPROCS=$SLURM_NTASKS/" ENVIRONMENT
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- make clean
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- make run-tests-pw-parallel
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- sed -i 's/export PARA_POSTFIX=" "/export PARA_POSTFIX=" -pd=.true."/g' run-pw.sh
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- make clean && make run-tests-pw-parallel
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pgi serial k80:
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tags: [k80]
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script:
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- module purge
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- module load profile/global hpc-sdk/20.9--binary mkl/2019--binary python
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- ./configure --disable-parallel --enable-openmp --with-cuda-runtime=10.1 --with-cuda-cc=35 --with-cuda=yes --enable-cuda-env-check=no
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- make -j pw cp
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- if [ -z ${SLURM_CPUS_PER_TASK} ]; then export OMP_NUM_THREADS=1; else export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK; fi
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- echo "Using $OMP_NUM_THREADS threads"
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- cd test-suite
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- make clean
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- make run-tests-pw-serial
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- make run-tests-cp-serial
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#pgi serial v100 :
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# tags: [galileo,v100]
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# script:
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# - module purge
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# - module load profile/global hpc-sdk/20.9--binary mkl/2019--binary python
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# - ./configure --disable-parallel --enable-openmp --with-cuda-runtime=10.1 --with-cuda-cc=70 --with-cuda=yes --enable-cuda-env-check=no
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# - make -j pw cp
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# - if [ -z ${SLURM_CPUS_PER_TASK} ]; then export OMP_NUM_THREADS=1; else #export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK; fi
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# - echo "Using $OMP_NUM_THREADS threads"
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# - cd test-suite
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# - make clean
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# - make run-tests-pw-serial
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# - make run-tests-cp-serial
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pgi207 power v100:
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tags: [marconi100]
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script:
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- module purge
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- module load profile/global hpc-sdk/2020--binary cuda/10.1 spectrum_mpi/10.3.1--binary python/3.8.2
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- pwd
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- cd ..
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- ./configure CC=pgcc F77=pgf90 FC=pgf90 F90=pgf90 MPIF90=mpipgifort --enable-openmp --with-cuda=$CUDA_ROOT --with-cuda-runtime=10.1 --with-cuda-cc=70
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- make -j pw cp
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- salloc --nodes=1 --ntasks-per-node=4 --ntasks-per-socket=2 --cpus-per-task=32 --gres=gpu:4 --mem=230000MB --time 01:00:00 -A $CINECA_QE_ACCOUNT -p m100_usr_prod
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- if [ -z ${SLURM_CPUS_PER_TASK} ]; then export OMP_NUM_THREADS=1; else export OMP_NUM_THREADS=8; fi
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- echo "Using $OMP_NUM_THREADS threads"
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- cd test-suite
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- make clean
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- make run-tests-pw-parallel
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- make run-tests-cp-parallel
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- exit
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#pgi cuda9.2 p100 nollvm:
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# tags: [p100]
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# script:
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# - module purge
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# - module load profile/global pgi/19.10--binary cuda/10.0
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# - ./configure --enable-openmp --with-cuda-runtime=10.0 --with-cuda-cc=60 --with-cuda=$CUDA_HOME --with-scalapack=no
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# - sed -i 's/traditional/traditional -Uvector/' make.inc # problem in PGI compiler mis-understanding comments.
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# - sed -i 's/cuda10.0/cuda10.0,nollvm/' make.inc # this is needed for some reason yet to be clarified.
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# - make -j pw
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# - if [ -z ${SLURM_CPUS_PER_TASK} ]; then export OMP_NUM_THREADS=1; else export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK; fi
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# - echo "Using $OMP_NUM_THREADS threads"
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# - cd test-suite
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# - make clean
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# - make run-tests-pw-parallel
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#
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#pgi cuda9.2 p100:
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# tags: [p100]
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# script:
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# - module purge
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# - module load profile/global pgi/19.10--binary cuda/10.0
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# - ./configure --enable-openmp --with-cuda-runtime=10.0 --with-cuda-cc=60 --with-cuda=$CUDA_HOME --with-scalapack=no
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# - sed -i 's/traditional/traditional -Uvector/' make.inc # problem in PGI compiler mis-understanding comments.
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# - make -j pw
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# - if [ -z ${SLURM_CPUS_PER_TASK} ]; then export OMP_NUM_THREADS=1; else export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK; fi
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# - echo "Using $OMP_NUM_THREADS threads"
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# - cd test-suite
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# - make clean
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# - make run-tests-pw-parallel
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#
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## UtilXlib UnitTesting
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#build:cudampiomp:
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# tags: [galileo]
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# script:
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# - module load profile/advanced pgi/17.10 cuda/8.0.61
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# - ./configure --enable-openmp
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# - cd UtilXlib/tests
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# - bash compile_and_run_tests.sh -smcn
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#
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#build:intelmpiomp:
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# tags: [galileo]
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# script:
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# - module load profile/advanced intel intelmpi
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# - ./configure --enable-openmp
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# - cd UtilXlib/tests
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# - bash compile_and_run_tests.sh -sm
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#
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#build:cudampi:
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# tags: [galileo]
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# script:
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# - module load profile/advanced pgi/17.10 cuda/8.0.61
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# - ./configure
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# - cd UtilXlib/tests
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# - bash compile_and_run_tests.sh -smcn
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#
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#build:intelmpi:
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# tags: [galileo]
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# script:
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# - module load profile/advanced intel intelmpi
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# - ./configure
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# - cd UtilXlib/tests
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# - bash compile_and_run_tests.sh -sm
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#
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##### BUILDS ON GALILEO ####
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#
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#build:laxlib-unittest:
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# tags: [galileo]
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# script:
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# - module load profile/advanced pgi/17.10 cuda/8.0.61
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# - ./configure && make pw
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# - cd LAXlib/tests
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# - make clean && make
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# - for file in ./*.x; do mpirun -np 4 ./$file; done
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# - cd ../../
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# - ./configure --disable-parallel && make clean && make pw
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# - cd LAXlib/tests
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# - make clean && make
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# - for file in ./*.x; do ./$file; done
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