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** ,* ----------------------------------------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110321/f18af41c/attachment.htm