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LAMMPS Molecular Dynamics Simulator 1.0.1
pts/lammps-1.0.1
- 01 March 2016 -
Update download links.
downloads.xml
<?xml version="1.0"?> <!--Phoronix Test Suite v6.2.1--> <PhoronixTestSuite> <Downloads> <Package> <URL>http://www.phoronix-test-suite.com/benchmark-files/lammps-22Jun07_v1.0.tgz</URL> <MD5>3c9ac8e8081dbb5b4200fe50588706dc</MD5> <SHA256>57135b2df66c1452692f06180594260aa061b360a190f3a5ec3859ad112db84a</SHA256> <FileSize>16742242</FileSize> </Package> </Downloads> </PhoronixTestSuite>
install.sh
#!/bin/sh tar -xzvf lammps-22Jun07_v1.0.tgz cd lammps-22Jun07/src/ make debian echo $? > ~/install-exit-status cp lmp_debian ../bench cd ~/ cat>lammps<<EOT #!/bin/sh cd ~/lammps-22Jun07/bench/ mpirun -np \$NUM_CPU_CORES lmp_debian < \$@ > \$LOG_FILE 2>&1 echo \$? > ~/test-exit-status EOT chmod +x lammps
results-definition.xml
<?xml version="1.0"?> <!--Phoronix Test Suite v6.2.1--> <PhoronixTestSuite> <ResultsParser> <OutputTemplate>Loop time of #_RESULT_# on 1 procs for 100 steps with 32000 atoms </OutputTemplate> <LineHint>Loop time</LineHint> </ResultsParser> </PhoronixTestSuite>
test-definition.xml
<?xml version="1.0"?> <!--Phoronix Test Suite v6.2.1--> <PhoronixTestSuite> <TestInformation> <Title>LAMMPS Molecular Dynamics Simulator</Title> <AppVersion>1.0</AppVersion> <Description>LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator.</Description> <ResultScale>Loop Time</ResultScale> <Proportion>LIB</Proportion> <TimesToRun>3</TimesToRun> </TestInformation> <TestProfile> <Version>1.0.1</Version> <SupportedPlatforms>Linux, Solaris, BSD</SupportedPlatforms> <SoftwareType>Scientific</SoftwareType> <TestType>Processor</TestType> <License>Free</License> <Status>Verified</Status> <ExternalDependencies>fortran-compiler, openmpi-development, fftw3-development, build-utilities</ExternalDependencies> <EnvironmentSize>87</EnvironmentSize> <ProjectURL>http://lammps.sandia.gov/</ProjectURL> <Maintainer>Michael Larabel</Maintainer> </TestProfile> <TestSettings> <Option> <DisplayName>Test</DisplayName> <Identifier>run-test</Identifier> <ArgumentPrefix></ArgumentPrefix> <ArgumentPostfix></ArgumentPostfix> <DefaultEntry>0</DefaultEntry> <Menu> <Entry> <Name>Rhodopsin Protein</Name> <Value>in.rhodo</Value> <Message></Message> </Entry> </Menu> </Option> </TestSettings> </PhoronixTestSuite>