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SYS-4028GR-TXRT + Gromacs

Discussion in 'Linux-Bench Results and Discussion' started by dhenzjhen, Mar 26, 2017.

  1. dhenzjhen

    dhenzjhen Member

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    ** GROMACS**

    Supermicro X10DGO-T
    Intel E5 2698 V4 x 2
    Samsung 16GB 2400 x 24
    Nvidia P100-SXM2 GPU x 4
    BIOS 3/22/17
    IPMI 1.15
    Centos 7.2 x64
    Nvidia driver 375.39
    Cudatoolkit 8.0.44
    GROMACS 2016.3 released March 14, 2017
    OpenMPI 1.10
    GCC 4.8.5
    Benchmarks: Water, ADH_Systems and Rnase.

    [​IMG]
    [​IMG]
    [​IMG]

    Note: Rnase 4GPU dodec_vsites performance degraded because lack of CPU cores.
    Will try soon with high core count CPU.


    Reference:
    GROMACS Benchmarks for NVIDIA Tesla K80 and M40 GPU Accelerators
    Welcome to the GROMACS documentation! — GROMACS 2016.3 documentation
    Getting good performance from mdrun — GROMACS 5.1.1 documentation
    https://www.acrc.a-star.edu.sg/docs/ASTAR GPU symposium-22th-Jan-2014.pdf
     
    #1
    Patrick and William like this.
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