The ABINIT Users Mailing List ( CLOSED )

["Resul Eryigit" <resul@ibu.edu.tr>]

|mpirun -hostfile  -np 8 ~/abinip_5_4 <dos.files > dos.log
|
|***********error from log file ******************
|initmpi_fft : BUG -
|  The number of band*FFT*kpt processors, npband*npfft*kpt, should be
|  equal to the total number of processors, nproc.
|  However, npband=    0 npfft =    0 npkpt =    0 and nproc=    8
|-P-0000
|-P-0000  leave_new : decision taken to exit ...
|-P-0000  leave_new : synchronization done....
|-P-0000  leave_new : exiting...
|****************************************
hello anurag,

probably abinip is compiled with -DMPI_FFT preprocessing for band+fft 
parallelism.
adding the following keywords to your input would solve the problem:

paral_kgb 1    ##probably this one is in 55x
npkpt 8 npband 1 npfft 1 ## 8*1*1 should be equal to nproc
                                     #if you have more procs, can play 
around with different
                                    #combinations
fftalg 401 wfoptalg 4 fft_opt_lob 2
iprcch 6 intxc 0
istwfk 8*1

you also have some double dots in spinat and xred. they are not related to 
the present error message though.
and your nband seems to be too large.

good luck
resul