[Pw_forum] Hybrid calculation stop!!

[toufik esssakhri]

Dear Dr. Lorenzo
thanks for replay

>are you sure it stopped? Maybe it's just much slower than you
    expect.
the copy back from scratch to data is done, so we can say job stopped

>What
    matters is available RAM memory, do you have plenty of it?

    there is the result of ulimit -a to check RAM memory 
=============================================
core file size                             (blocks, -c) 0
data seg size                            (kbytes, -d) unlimited
scheduling priority                                (-e) 0
file size                                       (blocks, -f) unlimited
pending signals                                       (-i) 62800
max locked memory                   (kbytes, -l) 64
max memory size                     (kbytes, -m) unlimited
open files                                                (-n) 1024
pipe size                                (512 bytes, -p) 8
POSIX message queues               (bytes, -q) 819200
real-time priority                                     (-r) 0
stack size                                    (kbytes, -s) 10240
cpu time                                   (seconds, -t) unlimited
max user processes                               (-u) 1024
virtual memory                          (kbytes, -v) unlimited
file locks                                                 (-x) unlimited
=============================================
i change the stack size (ulimit -s unlimited) to unlimited and i will see what happens
NB: The problem is only with hybrid functionnal, the GGA calculation for the same system is well done

cheers
Date: Fri, 30 May 2014 10:34:35 +0200
From: lorenzo.paulatto at impmc.upmc.fr
To: pw_forum at pwscf.org
Subject: Re: [Pw_forum] Hybrid calculation stop!!


  
    
  
  
    On 05/30/2014 09:36 AM, toufik esssakhri wrote:

    
      
      after 23 iterations and plot k,
          the job suddenly stops without any error 
        
        the last line in the output file is : 
            " the Fermi energy is    12.1994 ev"
        i can't say "out of memory" because i
            have 0.5 To in the scratch (where calculations will be done)
            and 5Go
      
    
    

    Dear Toufik,

    are you sure it stopped? Maybe it's just much slower than you
    expect.

    

    And about the memory, the disk space is not really important, even
    cheap laptops have enough disk space to run any simulation. What
    matters is available RAM memory, do you have plenty of it?

    

    regards

    

    -- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
+33 (0)1 44 275 084 / skype: paulatz
http://www-int.impmc.upmc.fr/~paulatto/
23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
  


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