Intro to High Performance Computing (HPC) course

Taught by Lukas in eecs IT (25 nov 2015)

http://www.eecs.qmul.ac.uk/~lukas/downloads/IntroductionToHPC.pdf
Apocrita

MPI – message passing interface

Use Screen for qlogin sessions, incase your SSH connection goes, then your process will continue.

  • Resource Allocation slide

Core = slot in SGE
smp (this gives you slots on the same machine will not spread over nodes)
if you specify 2 slots and 2 GB, you’ll end up being allocated 4GB – 2GB per slot.

  • Other HPC facilities

You can use Warwick (they have a few nodes with GPUs) – request an account from QMUL
archer.ac.uk UK super computer facility
prace-ri is an EU cluster, need to justify the use of the facility

  • NMR NOTES

NMR data – in which ways can it be sub-divided for parallelised? Where are the dependencies?
Python – sort out GitHub committing with SourceTree (first remove the sensitive details into an external file)