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GPAW 1.0.0
pts/gpaw-1.0.0
- 19 September 2020 -
Initial commit of GPAW>
downloads.xml
<?xml version="1.0"?> <!--Phoronix Test Suite v10.0.0m2--> <PhoronixTestSuite> <Downloads> <Package> <URL>https://pypi.org/packages/source/g/gpaw/gpaw-20.1.0.tar.gz</URL> <MD5>787a7e27741222c74fe3ce03ceb1a93d</MD5> <SHA256>c84307eb9943852d78d966c0c8856fcefdefa68621139906909908fb641b8421</SHA256> <FileName>gpaw-20.1.0.tar.gz</FileName> <FileSize>1482373</FileSize> </Package> <Package> <URL>http://www.phoronix-test-suite.com/benchmark-files/gpaw-benchmarks-20180130.tar.xz</URL> <MD5>366149f25d11df2029a27b995ae91080</MD5> <SHA256>1721ad0aed4a92204a666c129f52b8e8fb388e9ea2937186f2a87e950e5b7987</SHA256> <FileName>gpaw-benchmarks-20180130.tar.xz</FileName> <FileSize>57728</FileSize> </Package> </Downloads> </PhoronixTestSuite>
install.sh
#!/bin/sh tar -xf gpaw-20.1.0.tar.gz cd gpaw-20.1.0 pip3 install --user . echo $? > ~/install-exit-status ~/.local/bin/gpaw install-data $HOME/gpaw-data --register cd ~ tar -xf gpaw-benchmarks-20180130.tar.xz cat>gpaw<<EOT #!/bin/sh cd gpaw-benchmarks/\$1/ rm -f output.txt export OMP_NUM_THREADS=1 mpirun --allow-run-as-root -np \$NUM_CPU_PHYSICAL_CORES python3 input.py > \$LOG_FILE 2>&1 echo \$? > ~/test-exit-status cat output.txt >> \$LOG_FILE EOT chmod +x gpaw
results-definition.xml
<?xml version="1.0"?> <!--Phoronix Test Suite v10.0.0m2--> <PhoronixTestSuite> <ResultsParser> <OutputTemplate>Total: #_RESULT_# 100.0%</OutputTemplate> </ResultsParser> </PhoronixTestSuite>
test-definition.xml
<?xml version="1.0"?> <!--Phoronix Test Suite v10.0.0m2--> <PhoronixTestSuite> <TestInformation> <Title>GPAW</Title> <AppVersion>20.1</AppVersion> <Description>GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE).</Description> <ResultScale>Seconds</ResultScale> <Proportion>LIB</Proportion> <TimesToRun>3</TimesToRun> </TestInformation> <TestProfile> <Version>1.0.0</Version> <SupportedPlatforms>Linux</SupportedPlatforms> <SoftwareType>Scientific</SoftwareType> <TestType>System</TestType> <License>Free</License> <Status>Verified</Status> <ExternalDependencies>openmpi-development, fftw3-development, cmake, build-utilities, python-numpy, python, python-scipy, blas-development</ExternalDependencies> <EnvironmentSize>500</EnvironmentSize> <ProjectURL>https://wiki.fysik.dtu.dk/gpaw/index.html</ProjectURL> <Maintainer>Michael Larabel</Maintainer> <SystemDependencies>xc.h</SystemDependencies> </TestProfile> <TestSettings> <Option> <DisplayName>Input</DisplayName> <Identifier>run-input</Identifier> <Menu> <Entry> <Name>Carbon Nanotube</Name> <Value>carbon-nanotube</Value> </Entry> </Menu> </Option> </TestSettings> </PhoronixTestSuite>