The ABINIT Users Mailing List ( CLOSED )

[hyello25@gmail.com]

Dear abinit users,
I met a weird problem when putting the el-ph calculation of mgb2. The 
calculation cannot continue when ndtset exceeds 6 or 7 in the job. It  stopped
when reading the WFKs from the 1st and previous nscf results. And the log 
file stopped at 
-------------------------------------------------------------------------------
 mkfilename : getwfk/=0, take file _WFK from output of DATASET   1.
 mkfilename : getwfq/=0, take file _WFQ from output of DATASET  2. 
 getdim_nloc : deduce lmnmax  =   4, lnmax  =   2,
                      lmnmaxso=   4, lnmaxso=   2.
  distrb2: enter
  mpi_enreg%parareel=           0
  mpi_enreg%paralbd=           1
  mpi_enreg%paral_compil_respfn=           0 
  distrb2: exit
------------------------------------------------------------------------------
and never continue again even after hours. While, the cpus were still running 
100% load all the time. 
  Does this problem relate with my compile process?
  My os is Rocks 4.3, and the version of abinit is 5.35. using ifort 9 and 
OpenMPI 1.2.4

  Besides, does the warning below matter?
------------------------------------------------------------------------------
 
-P-0000  hdr_check: WARNING -
-P-0000   Restart of self-consistent calculation need translated 
wavefunctions.
-P-0000   Indeed, critical differences between current calculation and
-P-0000   restart file have been detected in: 
-P-0000         * the number, position, or weight of k-points
-P-0000         * the format of wavefunctions (istwfk)
-P-0000 
==============================================================================

Thanks a lot.