[Pw_forum] Howto DIY a small cluster with Infiniband for QE simulation?

Rolly Ng rollyng at gmail.com
Sat Dec 17 16:33:56 CET 2016

Dear QE users,

I used to run QE on individual server and the computation speed is quite 

I am planning to build a small cluster with Intel CPUs and Nvidia GPUs 
dedicated to QE and the cluster will be used by a few people within the 
research group.

The networking hardware that I already have:
(1) Mellanox ConnectX-2 VPI Dual Port HCA Infiniband QDR adapter on each 
(2) Mellanox 4036E 36 Port QDR switch,
(3) 4 identical servers with same CPUs, memory and GPUs as computing nodes,
(4) QDR copper cables.

My questions are:
(1) how to configure the infiniband network on OpenSuSE 13.2?
(2) how to compile QE to make use of the infiniband hardware?
(3) how to compile and run GPU (pw-gpu.x) across the cluster?

Thank you,

PhD. Research Fellow,
Dept. of Physics & Materials Science,
City University of Hong Kong
Tel: +852 3442 4000
Fax: +852 3442 0538

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