[gmx-users] generic hardware assembling for gromacs simulation

Seketoulie Keretsu sekekeretsu at gmail.com
Mon Nov 19 14:25:12 CET 2018

Dear Users.

I apologise this this not exactly an GROMACs simulation question.

I am a student and currently I trying to build a linux system for
gromacs simulation. I have seen some materials about utilizing GPUs
and multiprocessor but I can't fully understand some problems. I have
a system available with the configuration below:

GPU:  Zotac 1050ti 4gb GPU

Processor: i5 quad core 3.10ghz
RAM: 8GB DDR 4 Corsair ram
Storage: 250 GB had
[also Gigabyte motherboard , 650w power supply, 500 GB external ]

Would it be possible to utilize this GPUs to enhance the MD simulation
performance? If possible would you suggest/hint how to go about this?
Would it be possible to maximise the use of the resources if the OS is
installed with proper configurations?

Thanking you.


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