GPU configuration suggestions

From: Nikhil Maroli (
Date: Tue Mar 22 2016 - 00:52:25 CDT

Dear all,

we would like to purchase one GPU enabled workstation system for molecular
dynamics work,we will be running mainly GROMACS, NAMD and CHARMM (older
version which do not support GPU)

i welcome suggestions regarding the below configurations

kindly provide your valued suggestions

Like regarding HDD should i go for SAS,SSD or 7.2k or 10k rpm HDD ?!

regarding RAM for MD 64 GB is sufficient? (in general we will be working on
membrane protein simulations , some time protein folding too)

here is the configuration:

 Processor : 2 x Intel® Xeon® E5-2697 v3 (2.6
GHz, 35 MB cache, 14 cores, Intel® vPro™)
 Chipset : Intel® C612
 RAM : 64GB DDR4-2133 ECC Registered RAM
 Hard disk : 1 TB SATA SSD+ 2 TB SATA (7200 rpm)
:OS must installed in SSD partition information as below

 Graphics Card : NVIDIA Quadro K2200
 GPU : NVIDIA Tesla K40
 Others: Integrated Intel I210AT PCIe GbE; Integrated Intel I218LM PCIe GbE
          Intel 7260 802.11a/b/g/n PCIe WLAN

Nikhil Maroli

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