[Pw_forum] cannot get .projwfc.x bin in 5.x version

[Ari P Seitsonen]

Dear Efi Dwi Indari,

   You could execute 'make pwall' or just 'make pw pp' instead of 'make 
all' (or 'make link'/'make neb' etc), that should be enough to give you 
the 'projwfc.x'.

   I am not sure if I understood the rest of your email... We have been 
conducting calculations on Ubuntu 14.04 for some time, well with 
self-compiled OpenMPI, SCALAPACK, BLAS/LAPACK etc, trying to minimise 
using the packages from Ubuntu itself (in the hope of better performance 
and to avoid all the confusion between different versions of MPIs).

     Greetins from Sunny Paris,

        apsi

-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
   Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
     Ecole Normale Supérieure (ENS), Département de Chimie, Paris
     Mobile (F) : +33 789 37 24 25    (CH) : +41 79 71 90 935


On Fri, 11 Mar 2016, efi dwi indari wrote:

> Dear all,
> 
> *First of all I would like to mention that I use Ubuntu 14.04 OS*
> 
> I am now almost in the end of my calculation target. I would like to obtain
> pdos graphs with projwfc.x bin. In the middle of calculation, I was running
> out of memory then I moved all files from /home/... to /media/... After
> moving, I executed the bin but permission was denied. Then I was thinking
> that the execution should be in /home/... Thus, I cleaned up all files in my
> /home/.. directory but it gave me the same warning: permission was denied.
> 
> Afterwards, I started all over from the very beginning. I downloaded the
> .tar.gz from download page. Unfortunately, after ./configure and make all,
> all 5.x versions did not give me projwfc.x executable bin.
> 
> The error is like these (I copied from warning error since the previous
> lines are a lot and seems nothing going wrong):
> 
> fortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW  
> -I../include -I../../iotk/src -I../../Modules -I../src -I.  -c dist.f90
> Warning: Nonexistent include directory "../include"
> 
> ...
> 
> if test ! -d ../NEB; then \
>     (gzip -dc ../archive/neb-5.2.0.tar.gz | (cd ../ ; tar -xvf -)) ; fi
> 
> gzip: ../archive/neb-5.2.0.tar.gz: not in gzip format
> tar: This does not look like a tar archive
> tar: Exiting with failure status due to previous errors
> make[1]: *** [uncompress-neb] Error 2
> make[1]: Leaving directory
> `/home/efidwiindari/Downloads/espresso-5.2.0/install'
> make: *** [neb] Error 1
> 
> 
> Then I moved to espresso-4.3.2 and yes, I got it but after several
> modification in the input file, (e.g. &inputtpp as the namelist and
> lsym=.true.) there was still error on the output file as shown below:
> 
> # FROM IOTK LIBRARY, VERSION 1.2.0
> # UNRECOVERABLE ERROR (ierr=-1)
> # ERROR IN: iotk_scan_dat (iotk_dat+CHARACTER1_0.f90:546)
> # CVS Revision: 1.27
> # Dat not found
> name=CELL_SYMMETRY
> 
> and below is the input file
> 
> &inputpp
>  outdir='/home/efidwiindari/Downloads/espresso-4.3.2/tempdir/FAPIks/',
>  prefix='FAPIks',
>  ngauss=-1,
>  Emin=-19.0,
>  Emax=8.0,
>  deltaE=0.1,
>  lsym=.true.
>  filpdos='FAPIks.pdos'
> /
> 
> I also have tried to copy the bin and after ./configure, I typed make links
> since the link is broken (shown on the file type in the explorer). 
> 
> following is the error message on the terminal:
> 
> test -d bin || mkdir bin
> ( cd bin/ ; \
>     rm -f *.x ; \
>     for exe in ../*/*/*.x ../*/bin/* ; do \
>         if test ! -L $exe ; then ln -fs $exe . ; fi \
>     done ; \
>     [ -f ../WANT/wannier/dos.x ] &&  ln -fs ../WANT/wannier/dos.x
> ../bin/dos_want.x ; \
>     [ -f ../PP/src/dos.x ] &&  ln -fs ../PP/src/dos.x ../bin/dos.x ; \
>     [ -f ../WANT/wannier/bands.x ] &&  ln -fs ../WANT/wannier/bands.x
> ../bin/bands_want.x ; \
>     [ -f ../PP/src/dos.x ] &&  ln -fs ../PP/src/bands.x ../bin/bands.x ; \
>     [ -f ../W90/wannier90.x ] &&  ln -fs ../W90/wannier90.x
> ../bin/wannier90.x ; \
>     )
> make: *** [links] Error 1
> 
> Any comment and/or suggestion on this issue would be really appreciated.
> Thank you all for your time.
> 
> Best Regards,
> 
> Efi Dwi Indari
> Research Assistant, Bandung Institute of Technology
> 
> 
> 
>