[Wien] scratch folder in k-point parallel calculation

[Yundi Quan]

I forgot to add that after lapw2, all the output files should be written to
a shared folder (not to scratch folder of each node) so that sumpara -p
could access all the output files. In the version that I'm using (11.0), it
seems that lapw1 is not executed locally.


Yundi

On Thu, Jun 27, 2013 at 1:37 PM, Yundi Quan <yquan at ucdavis.edu> wrote:

>
>
> ---------- Forwarded message ----------
> From: Stefaan Cottenier <Stefaan.Cottenier at ugent.be>
> Date: Thu, Jun 27, 2013 at 1:33 PM
> Subject: Re: [Wien] scratch folder in k-point parallel calculation
> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>
>
>
>  I'm working on a cluster with many nodes. Each node has its own /scratch
>> folder which cannot be accessed by other nodes. My own data folder is
>> accessible to all nodes. When the WIEN2k scratch folder is set to './',
>> everything works fine except that all the data write/read are done in my
>> own data folder which slows down the system. When the WIEN2k scratch
>> folder is set to '/scratch', then the scratch files such as case.vector_
>> created on one node would not be visible to the other. This would not be
>> a problem for lapw1 -p and lapw2 -p if each node sticks to certain k
>> points and searches for scratch files related to these k-points. Is
>> there a way of configuring WIEN2k to work in this manner?
>>
>
> The k-point parallelization scheme works exactly in this way (mpi
> parallelization is different).
>
> STefaan
>
>
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