[Pw_forum] error in the Raman calculation

[lfhuang]

Dear Wang, Di:
    It seems it is caused by the breakdown of certain computer node, not related with the QE code. How many atoms and what are the atomic types in your system? Your input file can tell us a lot of things. And how many cpus did you use? If it is due to the un-stability of the computer, I will inform the administrators of it.

PS: Maybe it is better to think and test for enough times before submitting our problems on to the forum. And it is better to accompany a submitted problem with as much details as possible.

Best Wishes!

Yours Sincerely
L. F. Huang
 
> From: Wang Di 
> Subject: [Pw_forum] error in the Raman calculation
> To: pw_forum at pwscf.org
> Message-ID:
> 	
> Content-Type: text/plain; charset="iso-8859-1"
> 
> Hello all:
> i wish to calculate the Raman spectra of the crystal with espresso 4.1.1
> package. However, the  calculation process was terminated in self-consistent
> calculation of representations. The error information was that:
> 
> *Self-consistent Calculation
> cu003:1792:  dapl_post_req resource ERR: dtos pending = 432, max_dtos 432,
> max_cb 433 hd 99 tl 100
> cu003:1788:  dapl_post_req resource ERR: dtos pending = 432, max_dtos 432,
> max_cb 433 hd 228 tl 229
> cu003:1791: cu003:1794:  dapl_post_req resource ERR: dtos pending = 432,
> max_dtos 432, max_cb 433 hd 228 tl 229
>  dapl_post_req resource ERR: dtos pending = 432, max_dtos 432, max_cb 433 hd
> 99 tl 100
> rank 4 in job 1  cu004-ib_57947   caused collective abort of all ranks
>   exit status of rank 4: killed by signal 9 *
> 
> I have no idea to do with the case! Can you explain the reason causing the
> error and give  some advises for the solution, any help is greatly
> appreciated.
> 
> Best regards
> Wang
> 
> 
> -----------------------------------------------------------------
> *Wang Di**
> The Crystal Lab,*
> *AnHui Institute of Optics and Fine Mechanics, ***
> *Chinese Academy of Sciences,**
> No350. , Shushanhu Road, Hefei, 230031, China**,
> E-mail: WangDiean at gmail.com** ,*
> -----------------------------------------------------------------



------
======================================================================
L.F.Huang(黄良锋) DFT and phonon physics
======================================================================
Add: Research Laboratory for Computational Materials Sciences,
Instutue of Solid State Physics,the Chinese Academy of Sciences,
P.O.Box 1129, Hefei 230031, P.R.China
Tel: 86-551-5591464-326(office)
Fax: 86-551-5591434
Our group: http://theory.issp.ac.cn
======================================================================


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