[Pw_forum] dynamt.x error

xu yuehua njuxuyuehua at gmail.com
Thu May 24 17:15:18 CEST 2007


 Reading Dynamical Matrix from file /raid/xyh/pwscf/pho_scf_relax/fXXX.dynG
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
hi all
when i am about to compute dynamt.x ,there is a error(see below)
i know someone has met the same problem ,but his solution is :go back to scf
,and specify the ibra ,and  then  compute form the  scratch.
i want to know why i must to specify the ibra ,once i use a very strange
cell,especially iwheni use supercell.and not  belong to any of the bra ? how
to slove the error?
i wish get your help .




Reading Dynamical Matrix from file /raid/xyh/pwscf/pho_scf_relax/ww.dynG

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from latgen : error #         1
     wrong at for ibrav=0
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
Fatal error; unknown error handler
May be MPI call before MPI_INIT.  Error message is MPI_COMM_RANK and code is
197
Fatal error; unknown error handler
May be MPI call before MPI_INIT.  Error message is MPI_ABORT and code is 197
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source
dynmat.x           0000000000823740  Unknown               Unknown  Unknown
dynmat.x           0000000000777F69  Unknown               Unknown  Unknown
dynmat.x           0000000000455679  Unknown               Unknown  Unknown
dynmat.x           000000000045602B  Unknown               Unknown  Unknown
dynmat.x           0000000000403350  Unknown               Unknown  Unknown
dynmat.x           0000000000400834  Unknown               Unknown  Unknown
dynmat.x           0000000000400296  Unknown               Unknown  Unknown
dynmat.x           000000000081D391  Unknown               Unknown  Unknown
dynmat.x           00000000004001AA  Unknown               Unknown  Unknown
Thu May 24 22:55:50 CST 2007

 --
Xu Yuehua
physics Department of Nanjing university
China
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20070524/e199c16c/attachment.html>


More information about the users mailing list