[Wien] I still have problem with wienk in parallel mode

[Gerhard Fecher]

just a remark
Xeon X3430 do not come with hyperthreading and allows a max of 4 threads equal to the number of cores

A fast check whether it uses all 4 cores is to check with top (type 1) with OMP_NUM_THREADS=4 running the lapw1 benchmark.
(top will show you all active processors and how they are used)
Note if you run Wien2k with W2Web it takes the number of threads from the time W2Web was started but not the
one you give in the bash.rc. That means if you change the number of threads in bash.rc killl w2web and restart it.
Check that there is not another setting of  OMP_NUM_THREADS or  MKL_NUM_THREADS to dynamic that overrides youre settings,
in that case it may use something different, as Mark mentioned in a reply some time back.

Ciao
Gerhard

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]" im Auftrag von "Laurence Marks [L-marks at northwestern.edu]
Gesendet: Montag, 2. Januar 2012 19:43
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] I still have problem with wienk in parallel mode

2012/1/2 Nilton <nilton.dantas at gmail.com>:
> Dear L. Marks,
>
> I did your suggestions but unfortunately I have no success yet.
>
> 2011/12/28 Laurence Marks <L-marks at northwestern.edu>
>>
>> Suggestions, assuming that all your computers are dual quadcores:
>> a) Use as .machines file
>> 1:bodesking.uefs.br:8
>> 1:compute-0-0.local:8
>> 1:compute-0-1.local:8
>>
>>
>> This will run 3 tasks each using mpi with 8 cores on each computer. If
>> they are not dual quadcores but only have (for instance) 4 cores
>> change the "8" to "4".
>
>
> I tried it with 8 and 4 options. My computer is an xeon quadcore, but I am
> not sure if it is dual.  Here is the output of /proc/cpuinfo
>  ------------------------------------------------------------------------------------------------------------------------------
> processor       : 0
> vendor_id       : GenuineIntel
> cpu family      : 6
> model           : 30

The number of these will tell you how many cores you have (and it
could be twice the true number if hyperthreading is on).