The ABINIT Users Mailing List ( CLOSED )

["Sergey Lisenkov" <proffess@yandex.ru>]

Dear ABINIT users and authors,

I have got a error when I use restart option.
......

P-0000      1.0004479   0.0007459  -0.5415058  |     1.0004479   0.0007459  
-0.5415058
-P-0000      1.3501245   0.0007045  -0.4818423  |     1.3501245   0.0007045  
-0.4818423
-P-0000      0.8500736  -0.1485537  -0.4205337  |     0.8500736  -0.1485537  
-0.4205337
-P-0000  hdr_check:  Wavefunction file is OK for direct restart of calculation
-P-0000 
================================================================================
-P-0000  initwf : disk file gives npw= 47187 nband=    34 for k pt number=    
1
-P-0000  initwf :    34 bands have been initialized from disk
-P-0000  leave_test : synchronization done...
 wfsinp: loop on k-points and spins done in parallel
 pareigocc : MPI_ALLREDUCE
-P-0000  leave_test : synchronization done...
 wfsinp: loop on k-points done in parallel
 newkpt : in paral mode, only node 0 describes in the main output file the 
copying of wfs.
-P-0000  leave_test : synchronization done...
 newkpt: loop on k-points done in parallel
 pareigocc : MPI_ALLREDUCE


 gstate : BUG -
  An error occurred reading the input wavefunction file,
  with restartxf=1.
  Action : contact ABINIT group.

 Delivered    2 WARNINGs and   2 COMMENTs to log file.
-P-0000

-P-0000  leave_new : decision taken to exit ...

ABINIT (4.3.3) was compiled using IFC 7.1 and atlas library, SCALI MPI. 
Because in this version of MPI abinit could not read *files* file, I compiled 
the code using -DCHGSTDIO option. If I will not use keywords:

restartxf 1
irdwfk    1

the code will run (because no restart).

Any hints?

 Thank you very much,
    Best wishes,
       Sergey