[Pw_forum] pp.x and dos.x crashes with "memory allocation"

[Eyvaz Isaev]

Dear Pari,

> I have been sending emails for months to all the QE email address, but  nobody 
>sent a reply yet, 
>
> although I subscribed for the forum.


Please just let me  tell you  that nobody from the forum is obliged to answer 
any question, there are only volunteers. If one has time and  have an experience 
with the similar problem then he can share with this info. 


Regarding the problem: have you tried using a smaller k-points set? How big is 
your structure? Have you tried different compilers?

Bests,
Eyvaz
-------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, 
Sweden 

Theoretical Physics Department, Moscow State Institute of Steel & Alloys, 
Russia, 

isaev at ifm.liu.se, eyvaz_isaev at yahoo.com




________________________________
From: pari shok <parishok at gmail.com>
To: q-e-developers at qe-forge.org
Cc: eyvaz_isaev at yahoo.com
Sent: Tue, February 8, 2011 5:11:54 PM
Subject: pp.x and dos.x crashes with "memory allocation"

Dear All,
I have a problem and I really really appreciate if anybody could help me.
I downloaded QE in two machines:
intel (R) pentium (R) 4 cpu 3 GHz with total memory 2GB, and
intel (R) core (TM) i7 cpu 870 @2.93 GHz, with 4GB total memory.
everything is working perfectly well with the first machine (with  
espresso-4.1.2), but dos.x and pp.x both crash with "out of memory/  memory 
allocation" error in the second machine for big structures  (espresso-4.2.1 and 
espresso-4.2). It should be noted that pw.x works properly and the "memory 
allocation" error happens just for dos and post processing.
I downloaded ATLAS and modified "make.sys" accordingly but it didn't  help. I 
used "ulimit -s unlimited" command, it didn't help either.
I have been sending emails for months to all the QE email address, but nobody 
sent a reply yet, although I subscribed for the forum.
I would be thankful if anyone of you could help me in this regard.
Thanks a lot.
Pari Shok,
PhD candidate 
UMD 


      
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