[Pw_forum] Memory distribution problem

[Paolo Giannozzi]

On Fri, 2014-02-28 at 09:12 -0600, Peng Chen wrote:

> I think it is memory, because the error message is like:
> : 02/27/2014 14:06:20|  main|zeta27|W|job 221982 exceeds job hard
> limit "h_vmem" of queue (2871259136.00000 > limit:2147483648.00000) -
> sending SIGKILL

there are a few hints on how to reduce memory usage to the strict
minimum here:
http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/node19.html#SECTION000600100000000000000
If the FFT grid is large, reduce mixing_ndim from its default value (8)
to 4 or so. If the number of bands is large, distribute nbnd*nbnd
matrices using "-ndiag". If you have many k-points, save to disk with
disk_io='medium'. The message you get: "2871259136 > limit:2147483648"
makes me think that you crash when trying to allocate an array whose 
size is at least 2871259136-2147483648=a lot. It shouldn' be difficult
to figure out where such a large array comes from

Paolo


> 
> I normally used h_stak=128M, it is working fine.
> 
>  
> 
> 
> 
> 
> On Fri, Feb 28, 2014 at 7:30 AM, Paolo Giannozzi
> <paolo.giannozzi at uniud.it> wrote:
>         On Thu, 2014-02-27 at 17:30 -0600, Peng Chen wrote:
>         > P.S. Most of the jobs failed at the beginning of scf
>         calculation, and
>         > the length of output scf file is zero.
>         
>         
>         are you sure the problem is the size of the RAM and not the
>         size of
>         the stack?
>         
>         P.
>         
>         
>         >
>         >
>         > On Thu, Feb 27, 2014 at 5:09 PM, Peng Chen
>         <pchen229 at illinois.edu>
>         > wrote:
>         >         Dear QE users,
>         >
>         >
>         >         Recently, our workstation is updated and there is a
>         hard limit
>         >         on memory (2G per core). Some of QE jobs are
>         constantly failed
>         >         (not always) because one of the MPI processes
>         exceeded the RAM
>         >         limit and was killed. I am wondering if there is a
>         way to
>         >         distribute using memory more evenly in every core.
>         >
>         >
>         
>         > _______________________________________________
>         > Pw_forum mailing list
>         > Pw_forum at pwscf.org
>         > http://pwscf.org/mailman/listinfo/pw_forum
>         
>         
>         --
>          Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
>          Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>          Phone +39-0432-558216, fax +39-0432-558222
>         
>         _______________________________________________
>         Pw_forum mailing list
>         Pw_forum at pwscf.org
>         http://pwscf.org/mailman/listinfo/pw_forum
>         
> 
> 
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum

-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222