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QMCPACK 1.0.2
pts/qmcpack-1.0.2
- 30 August 2019 -
Add lapack-development as possible external dependency.
downloads.xml
<?xml version="1.0"?> <!--Phoronix Test Suite v9.0.0m2--> <PhoronixTestSuite> <Downloads> <Package> <URL>https://github.com/QMCPACK/qmcpack/archive/v3.8.0.tar.gz</URL> <MD5>67602611fd7e6f92b2ab47e88bbf1cf5</MD5> <SHA256>a1abd9be2236e6e9c89bb3406431b2001e144376f5c5e70387f9aaffb0540d8d</SHA256> <FileName>qmcpack-3.8.0.tar.gz</FileName> <FileSize>99183459</FileSize> </Package> </Downloads> </PhoronixTestSuite>
install.sh
#!/bin/sh tar -xvf qmcpack-3.8.0.tar.gz cd qmcpack-3.8.0/build/ cmake .. # Run make twice as seems to hit errors on first build but completes fine on second time make -j $NUM_CPU_CORES make -j $NUM_CPU_CORES echo $? > ~/install-exit-status cd ~/ cat>qmcpack<<EOT #!/bin/sh cd qmcpack-3.8.0/build/examples/molecules/H2O/example_H2O-1-1 mpirun -np \$NUM_CPU_PHYSICAL_CORES ~/qmcpack-3.8.0/build/bin/qmcpack simple-H2O.xml > \$LOG_FILE 2>&1 echo \$? > ~/test-exit-status EOT chmod +x qmcpack
results-definition.xml
<?xml version="1.0"?> <!--Phoronix Test Suite v9.0.0m2--> <PhoronixTestSuite> <ResultsParser> <OutputTemplate>Total Execution time = #_RESULT_# secs</OutputTemplate> <LineHint>Total Execution time</LineHint> </ResultsParser> </PhoronixTestSuite>
test-definition.xml
<?xml version="1.0"?> <!--Phoronix Test Suite v9.0.0m2--> <PhoronixTestSuite> <TestInformation> <Title>QMCPACK</Title> <AppVersion>3.8</AppVersion> <Description>QMCPACK is a modern high-performance open-source Quantum Monte Carlo (QMC) simulation code making use of MPI for this benchmark of the H20 example code.</Description> <ResultScale>Total Execution Time - Seconds</ResultScale> <Proportion>LIB</Proportion> <TimesToRun>1</TimesToRun> </TestInformation> <TestProfile> <Version>1.0.2</Version> <SupportedPlatforms>Linux, BSD</SupportedPlatforms> <SoftwareType>Scientific</SoftwareType> <TestType>Processor</TestType> <License>Free</License> <Status>Verified</Status> <ExternalDependencies>openmpi-development, fftw3-development, build-utilities, boost-development, cmake, hdf5, libxml2, lapack-development</ExternalDependencies> <EnvironmentSize>1200</EnvironmentSize> <ProjectURL>http://qmcpack.org/</ProjectURL> <InternalTags>SMP, MPI</InternalTags> <Maintainer>Michael Larabel</Maintainer> </TestProfile> </PhoronixTestSuite>