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

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  • #21
    OK. I'll try it on a fresh install from git later on today.

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

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      • #23
        So no other ideas then? I tried it on another box too and experienced the same failures.
        Michael Larabel
        http://www.michaellarabel.com/

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        • #24
          What distro are you using to test on?

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          • #25
            Ubuntu and it had worked in the same configuration with 0.1 and 0.2 of md-gromacs
            Michael Larabel
            http://www.michaellarabel.com/

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            • #26
              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, 08:33 AM.

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              • #27
                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

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                • #28
                  Looks like that fixed it, thanks: http://global.phoronix-test-suite.co...0513-17000-220
                  Michael Larabel
                  http://www.michaellarabel.com/

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                  • #29
                    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>

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                    • #30
                      Should be in git shortly.
                      Michael Larabel
                      http://www.michaellarabel.com/

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