From: daniel aguayo (bioquimico_at_gmail.com)
Date: Tue Mar 22 2016 - 06:59:16 CDT
Hi
I have this configuration with a one NVIDIA 980Ti, which get better
results than Nvidia TITAN (due to its core).
We get 10x speedup with the GPU for a 400.000 atoms using both CPUs,
compared with multicore-only NAMD version. On the other hand, for 40.000
atoms simulation we get the highest 10x with one CPU and 14x with both CPUs
Processor : 2 x Intel® Xeon® E5-2697 v3 (2.6 GHz,
35 MB cache, 14 cores, Intel® vPro™)
Chipset : Intel® C612 on Supermicro
mottherboard
RAM : 64GB DDR4-2133 ECC Registered RAM
Hard disk : 1 TB SATA SSD (OS installed in SSD )
Graphics Card : NVIDIA 980Ti (evga classified, with plate)
Others: Integrated Intel I210AT PCIe GbE; Integrated Intel I218LM PCIe GbE
Intel 7260 802.11a/b/g/n PCIe WLAN
bests
Daniel Aguayo V.
Center for Bionformatics & Integrative Biology
Universidad Andres Bello
Chile
On Tue, Mar 22, 2016 at 2:52 AM, Nikhil Maroli <scinikhil_at_gmail.com> wrote:
> 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
>
> --
> Ragards,
> Nikhil Maroli
>
>
-- saludos desde el fin del mundo
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