[Pw_forum] error in the Raman calculation

Wang Di didi5158 at gmail.com
Mon Mar 21 03:31:12 CET 2011


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


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*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** ,*
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