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Thread: New test-set (md-gromacs) & suite (molecular-dynamics)

  1. #21
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    Default

    OK. I'll try it on a fresh install from git later on today.

  2. #22
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    Just installed afresh from the latest git code and all the tests work fine for me.

  3. #23

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    So no other ideas then? I tried it on another box too and experienced the same failures.

  4. #24
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    What distro are you using to test on?

  5. #25

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    Ubuntu and it had worked in the same configuration with 0.1 and 0.2 of md-gromacs

  6. #26
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    OK, I know why. Ubuntu uses dash as it's /bin/sh and it looks like it doesn't support something I added in 0.3 (not sure what yet).

    Edit: I know what the problem is, it's I/O redirection. Patch coming shortly.
    Last edited by uncle_fungus; 05-09-2008 at 09:33 AM.

  7. #27
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    Patch for dash I/O redirection:

    Code:
    diff --git a/pts/test-resources/md-gromacs/install.sh b/pts/test-resources/md-gromacs/install.sh
    index 40d3ec5..491f218 100644
    --- a/pts/test-resources/md-gromacs/install.sh
    +++ b/pts/test-resources/md-gromacs/install.sh
    @@ -49,7 +49,7 @@ if [ -f $THIS_DIR/flopcount ]
         rm -f $THIS_DIR/flopcount
     fi
     mkdir $THIS_DIR/gmxbench
    -tar -xvf gmxbench-3.0.tar.gz -C $THIS_DIR/gmxbench/ &>/dev/null
    +tar -xvf gmxbench-3.0.tar.gz -C $THIS_DIR/gmxbench/ 1>/dev/null 2>&1
    
     case "\$1" in
     \"villin\")
    @@ -75,12 +75,12 @@ esac
    
     case "\$2" in
     \"mpi\")
    -       $THIS_DIR/gromacs333_/bin/grompp -np \$NUM_CPU_CORES -nov &>/dev/null
    -       $THIS_DIR/mpich2_/bin/mpiexec -np \$NUM_CPU_CORES $THIS_DIR/gromacs333_/bin/mdrun &> $THIS_DIR/flopcount
    +       $THIS_DIR/gromacs333_/bin/grompp -np \$NUM_CPU_CORES -nov 1>/dev/null 2>&1
    +       $THIS_DIR/mpich2_/bin/mpiexec -np \$NUM_CPU_CORES $THIS_DIR/gromacs333_/bin/mdrun 1>$THIS_DIR/flopcount 2>&1
            ;;
     \"single-node\")
    -       $THIS_DIR/gromacs333_/bin/grompp -nov &>/dev/null
    -       $THIS_DIR/gromacs333_/bin/mdrun_single &> $THIS_DIR/flopcount
    +       $THIS_DIR/gromacs333_/bin/grompp -nov 1>/dev/null 2>&1
    +       $THIS_DIR/gromacs333_/bin/mdrun_single 1>$THIS_DIR/flopcount 2>&1
            ;;
     *)
            exit

  8. #28

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    Looks like that fixed it, thanks: http://global.phoronix-test-suite.co...0513-17000-220

  9. #29
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    Location
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    Patch to add new *size info to profile (and change state to verified if that's ok).
    Code:
    diff --git a/pts/test-profiles/md-gromacs.xml b/pts/test-profiles/md-gromacs.xml
    index 20da79f..bc08eea 100644
    --- a/pts/test-profiles/md-gromacs.xml
    +++ b/pts/test-profiles/md-gromacs.xml
    @@ -4,8 +4,10 @@
                    <TestType>Processor</TestType>
                    <SoftwareType>Scientific</SoftwareType>
                    <License>FREE</License>
    -               <Status>UNVERIFIED</Status>
    +               <Status>VERIFIED</Status>
                    <Maintainer>Andrew Schofield</Maintainer>
    +               <DownloadSize>30</DownloadSize>
    +               <EnvironmentSize>231</EnvironmentSize>
            </TestProfile>
            <TestInformation>
                    <Title>GROMACS MD Benchmark</Title>

  10. #30

    Default

    Should be in git shortly.

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