Anyone built cp2k on Amazon EC2 or Google Compute Engine?

Faraz H fa... at squashclub.org
Tue Aug 22 15:37:14 CEST 2017


Just an update, I managed to install openmpi on Google Compute Engine. I 
also installed the OSU benchmarks from 
http://mvapich.cse.ohio-state.edu/benchmarks/

I launched two 64cpu instances and disabled the hyper-threading ( so 
effectively 32 cpu machines ). I ran the OSU benchmarks and got latency of 
20-25 microseconds. For bandwidth I got ~750 MB/sec (~ 6 Gbps ). For 
comparison, our local Infinband cluster has latency of 1-2 microseconds and 
bandwidth of 4500 MB/sec ( ~40 Gbps )

Are these specs sufficient to see some parallel performance gains with 
cp2k? I do not want to bother building cp2k if it is not worth it.
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