test for 4096 cpus. was RE: [CPMD-list] Empty ENERGIES file on x86-64 systems

[Kozin, I (Igor)]

Alexandr,
what test cases have you run and on how many processors?
It would be interesting if you could post the results
when you are ready.

Sometime ago CPMD developers promised to make available
the test cases which could scale to a large number of cpus.
Given that yours has 4096, would not it be nice
to run something suitable on it?
Is there a _relaible_ standard test case which could
fit the bill?

[e.g. it might be tempting to put a quick but not
robust wavefunction optimization method in the test. 
But then you end up having different number of iterations 
on different machines and how do you compare those?]

Best,
Igor

PS  Axel, you are more than welcome to post any hints
which improve performance! XT3 or otherwise.

PPS is there a noticeable variation among XT3s?

I. Kozin  (i.kozin at dl.ac.uk)
CCLRC Daresbury Laboratory
tel: 01925 603308
http://www.cse.clrc.ac.uk/disco

> AK> on what xt3 are you running on? i might have some extra hints
> AK> for you to get even more out of it...
> 
> It would be great! I am working with this machine: 
> http://top500.org/system/details/7654
> Unfortunately, I did not yet make a lot of benchmarks there. However,
> rough tests suggest that performance and scaling are VERY GOOD!