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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

    Sep 14, 2016
    Likes Received:
    ** 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.


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

    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
    Patrick and William like this.
Similar Threads: SYS-4028GR-TXRT Gromacs
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Linux-Bench Results and Discussion Gromacs benchmark on 1028GQ-TXR and 4 P100SXM2 GPU Mar 27, 2017

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