Tests
Suites
Latest Results
Search
Register
Login
Popular Tests
Timed Linux Kernel Compilation
SVT-AV1
7-Zip Compression
Blender
FFmpeg
Counter-Strike 2
Newest Tests
Valkey
Whisperfile
XNNPACK
GROMACS
Stockfish
POV-Ray
Recently Updated Tests
Opus Codec Encoding
ParaView
Stockfish
BYTE Unix Benchmark
SVT-AV1
ONNX Runtime
New & Recently Updated Tests
Recently Updated Suites
Database Test Suite
Machine Learning
Steam
New & Recently Updated Suites
Component Benchmarks
CPUs / Processors
GPUs / Graphics
OpenGL
Disks / Storage
Motherboards
File-Systems
Operating Systems
OpenBenchmarking.org
Corporate / Organization Info
Bug Reports / Feature Requests
NAMD CUDA 1.1.0
pts/namd-cuda-1.1.0
- 27 August 2020 -
Update against upstream NAMD 2.14.
downloads.xml
<?xml version="1.0"?> <!--Phoronix Test Suite v10.0.0m1--> <PhoronixTestSuite> <Downloads> <Package> <URL>https://www.ks.uiuc.edu/Research/namd/2.14/download/946183/NAMD_2.14_Linux-x86_64-multicore-CUDA.tar.gz</URL> <MD5>d267b77d4c1d40ba43862a4673675c31</MD5> <SHA256>f1516c79b8d6ba72f34f1a2c0b1d09b4eafd4e2f7bb1fc585fd9fe418d141976</SHA256> <FileName>NAMD_2.14_Linux-x86_64-multicore-CUDA.tar.gz</FileName> <FileSize>169669114</FileSize> </Package> <Package> <URL>https://www.ks.uiuc.edu/Research/namd/utilities/f1atpase.zip</URL> <MD5>bec570545a4297dc89ac402b8a59753a</MD5> <SHA256>26b37eb20ad532238a85724c43cbaedd58a507ec71ad8a40aff20b98da949fa8</SHA256> <FileName>f1atpase.zip</FileName> <FileSize>28241682</FileSize> </Package> </Downloads> </PhoronixTestSuite>
install.sh
#!/bin/sh tar -zxvf NAMD_2.14_Linux-x86_64-multicore-CUDA.tar.gz unzip -o f1atpase.zip sed -i 's/\/usr\/tmp/\/tmp/g' f1atpase/f1atpase.namd cd ~ echo "#!/bin/sh cd NAMD_2.14_Linux-x86_64-multicore-CUDA ./namd2 +idlepoll +p\$NUM_CPU_CORES +setcpuaffinity ../f1atpase/f1atpase.namd > \$LOG_FILE 2>&1" > namd-cuda chmod +x namd-cuda
results-definition.xml
<?xml version="1.0"?> <!--Phoronix Test Suite v10.0.0m1--> <PhoronixTestSuite> <ResultsParser> <OutputTemplate>Info: Benchmark time: 64 CPUs 0.0232228 s/step #_RESULT_# days/ns 4678.59 MB memory</OutputTemplate> <LineHint>Benchmark time</LineHint> <ResultPrecision>5</ResultPrecision> </ResultsParser> </PhoronixTestSuite>
test-definition.xml
<?xml version="1.0"?> <!--Phoronix Test Suite v10.0.0m1--> <PhoronixTestSuite> <TestInformation> <Title>NAMD CUDA</Title> <AppVersion>2.14</AppVersion> <Description>NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. NAMD was developed by the Theoretical and Computational Biophysics Group in the Beckman Institute for Advanced Science and Technology at the University of Illinois at Urbana-Champaign. This version of the NAMD test profile uses CUDA GPU acceleration.</Description> <ResultScale>days/ns</ResultScale> <Proportion>LIB</Proportion> <SubTitle>ATPase Simulation - 327,506 Atoms</SubTitle> <TimesToRun>3</TimesToRun> </TestInformation> <TestProfile> <Version>1.1.0</Version> <SupportedPlatforms>Linux</SupportedPlatforms> <SoftwareType>Benchmark</SoftwareType> <TestType>Processor</TestType> <License>Free</License> <Status>Verified</Status> <SupportedArchitectures>x86_64</SupportedArchitectures> <EnvironmentSize>76</EnvironmentSize> <ProjectURL>http://www.ks.uiuc.edu/Research/namd/</ProjectURL> <InternalTags>SMP</InternalTags> <Maintainer>Michael Larabel</Maintainer> </TestProfile> </PhoronixTestSuite>