SYS-4028GR-TXRT + Gromacs

dhenzjhen

Member
Sep 14, 2016
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San Jose, California
** 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.


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
 
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