[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
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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
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