[Wien] k-point parallel job in distributed file system

XU ZUO xzuo at nankai.edu.cn
Fri Aug 18 02:38:01 CEST 2006


Yes, I will.

Thank you so much. 

-----Original Message-----
From: wien-bounces at zeus.theochem.tuwien.ac.at
[mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Joachim Luitz
Sent: Thursday, August 17, 2006 9:43 PM
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] k-point parallel job in distributed file system

XU ZUO schrieb:
> Unfortunately, I am suffered from the instability of the k-point 
> parallelization. I understand that this problem is caused by the bad 
> NFS performance (problems on read/write latency and synchronization) 
> and that adjusting $delay and $sleepy may solve the problem. However, 
> as the cluster load and traffic are dynamic, it is better to design 
> adaptive code, which can handle this problem dynamically.
>   
then you could try to use the parameter

extrafine:1

in the .machines file, which then will distribute chunks of single k-points.
Thus it will dynamically adapt to your cluster's load, but will create extra
network traffic when summing up.

Regards
  Joachim

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