<?xml version="1.0"?>
<!--Phoronix Test Suite v10.8.3-->
<PhoronixTestSuite>
  <TestInformation>
    <Title>GROMACS</Title>
    <AppVersion>2022.1</AppVersion>
    <Description>The GROMACS (GROningen MAchine for Chemical Simulations) molecular dynamics package testing with the water_GMX50 data. This test profile allows selecting between CPU and GPU-based GROMACS builds.</Description>
    <ResultScale>Ns Per Day</ResultScale>
    <Proportion>HIB</Proportion>
    <SubTitle>Water Benchmark</SubTitle>
    <TimesToRun>3</TimesToRun>
  </TestInformation>
  <TestProfile>
    <Version>1.7.0</Version>
    <SupportedPlatforms>Linux, BSD, MacOSX</SupportedPlatforms>
    <SoftwareType>Benchmark</SoftwareType>
    <TestType>System</TestType>
    <License>Free</License>
    <Status>Verified</Status>
    <ExternalDependencies>build-utilities, cmake, openmpi-development</ExternalDependencies>
    <EnvironmentSize>1100</EnvironmentSize>
    <ProjectURL>http://www.gromacs.org/</ProjectURL>
    <RepositoryURL>https://github.com/gromacs/gromacs</RepositoryURL>
    <InternalTags>SMP, MPI</InternalTags>
    <Maintainer>Michael Larabel</Maintainer>
  </TestProfile>
  <TestSettings>
    <Option>
      <DisplayName>Implementation</DisplayName>
      <Identifier>implementation</Identifier>
      <Menu>
        <Entry>
          <Name>MPI CPU</Name>
          <Value>mpi-build</Value>
        </Entry>
        <Entry>
          <Name>NVIDIA CUDA GPU</Name>
          <Value>cuda-build</Value>
        </Entry>
      </Menu>
    </Option>
    <Option>
      <DisplayName>Input</DisplayName>
      <Identifier>input</Identifier>
      <Menu>
        <Entry>
          <Name>water_GMX50_bare</Name>
          <Value>water-cut1.0_GMX50_bare/1536</Value>
        </Entry>
      </Menu>
    </Option>
  </TestSettings>
</PhoronixTestSuite>
