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[Mohua Bhattacharya <mohua.simoom@gmail.com>]

Hello,

I am trying to test band fft parallelization for a Au system with 648 bands and 8 processors. I am using v 6.0.1.
Here
are snippets of the input file , log file and the output file. It looks
like it is not doing parallelization over bands. Any input is hugely
appreciated.
Thanks for your time,
Regards
Mohua


Input:

paral_kgb 1   
npband  8    #27
 npfft  1       #4
timopt -1
fftalg 401 wfoptalg 4 fft_opt_lob 2 
iprcch 0 intxc 0

 




Output:

Symmetries : space group Pm -3 m (#221); Bravais cP (primitive cubic)
================================================================================
 Values of the parameters that define the memory need of the present run
   intxc =         0  ionmov =         0    iscf =         7 xclevel =         1
  lmnmax =         2   lnmax =         2   mband =       648  mffmem =         1
P  mgfft =        36   mkmem =         1 mpssoang=         3     mpw =       286
  mqgrid =      3001   natom =       107    nfft =     46656    nkpt =         1
  nloalg =         4  nspden =         1 nspinor =         1  nsppol =         1
    nsym =        48  n1xccc =      2501  ntypat =         1  occopt =         3
================================================================================
P This job should need less than                      32.684 Mbytes of memory.
  Rough estimation (10% accuracy) of disk space for files :
  WF disk file :      2.830 Mbytes ; DEN or POT disk file :      0.358 Mbytes.
================================================================================

 -outvars: echo values of preprocessed input variables --------
            acell    2.3010000000E+01  2.3010000000E+01  2.3010000000E+01 Bohr
              amu    1.96966540E+02
             ecut    2.50000000E+00 Hartree
           enunit         2
           fftalg       401
      fft_opt_lob         2
           iprcch         0
              kpt    2.50000000E-01  2.50000000E-01  2.50000000E-01
          kptrlen    4.60200000E+01
         kptrlatt    2  0  0   0  2  0   0  0  2
P           mkmem         1
            natom       107
            nband       648
            ngfft        36      36      36
             nkpt         1
            nline         1
           npband         8
         npulayit        10
            nstep         1
             nsym        48
           ntypat         1


P newkpt: treating    648 bands with npw=     286 for ikpt=   1 by node    0


Log:

 npfft, npband and npkpt           1           8           1
 mpi_enreg%sizecart(1),np_fft           1           1
 mpi_enreg%sizecart(2),np_band           8           8
 mpi_enreg%sizecart(3),np_kpt           1           1



 For dataset=   1  a possible choice for less than    0 processors is:
  nproc    npkpt    npband     npfft    bandpp

chkinp: WARNING -
  When k-points/bands/FFT parallelism is activated
  (paral_kgb=1), only MPI-IO input/output is allowed !
  accesswff/=1 in your input file
  You will not be able to perform input/output !


kpgio: loop on k-points done in parallel