We have a few computer (i7-6700) with gtx 1070. Our goal is to create a cluster that can utilize the gpu for calculations, particularly VASP (material science software).

From what I have researched:

1. I would be using ROCKS cluster v6.2. v7 is available but it is still new and I'm a bit afraid of possible bugs.

2. I would be using either MVAPICH2 or OPENMPI for a cuda(gpu) -aware MPI to utilize the gpu. Currently I am not that much familiar with the ports to be used by the MVAPICH, but I do know that we only have a ethernet cable (no infiniband or whatever). I might be mistaken with this. Also I'm not that aware on which version of the MPI to choose.

3. I would need a gpu-aware job manager. From some forum I have seen them recommending the use of SLURM.

If you have any experience on a similar build please do tell if you have comments. Your experiences would be deeply appreciated.

Thank you for your time.

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