[Wien] fold2Bloch installation problem.

Sun May 15 23:31:36 CEST 2016

It looks like there is probably something wrong with your file 
fold2Bloch.F90.  In the compiler output, it looks like it found html 
tags like </td> in fold2Bloch.F90.  If you look at the fortran code [ 
https://github.com/rubel75/fold2Bloch/blob/master/fold2Bloch.F90 ], it 
does not look like it should have any html it that file.

I was not able to reproduce the problem when following the install 
instructions [ https://github.com/rubel75/fold2Bloch/wiki/Installation ] 
as you can see below.

Downloaded and unzipped fold2Bloch:

username at computername:~$ wget -O fold2Bloch.zip 
https://github.com/rubel75/fold2Bloch/archive/master.zip
...
username at computername:~$ unzip fold2Bloch.zip
...
username at computername:~$ mv fold2Bloch-master/ fold2Bloch/

Compiled fold2Bloch:

username at computername:~/Downloads$ cd fold2Bloch/
username at computername:~/Downloads/fold2Bloch$ ifort -warn all 
-diag-disable 8290 -traceback -free util.F fold2Bloch.F90 -o fold2Bloch

Tested the installation following Tutorial 1 [ 
https://github.com/rubel75/fold2Bloch/wiki/Tutorial-1:-Lattice-of-Hydrogen-atoms 
]:

username at computername:~/fold2Bloch$ cd Tutorials/Tutorial_1/
username at computername:~/fold2Bloch/Tutorials/Tutorial_1$ mkdir 6-atom2D
username at computername:~/fold2Bloch/Tutorials/Tutorial_1/6-atom2D$ cp 
../6-atom2D.* .
username at computername:~/fold2Bloch/Tutorials/Tutorial_1/6-atom2D$ 
init_lapw -b -numk 100
...
username at computername:~/fold2Bloch/Tutorials/Tutorial_1/6-atom2D$ run_lapw
...
in cycle 6    ETEST: .0005691950000000   CTEST: .0004724
hup: Command not found.
  LAPW0 END
  LAPW1 END
  LAPW2 END
  CORE  END
  MIXER END
ec cc and fc_conv 1 1 1

 >   stop
username at computername:~/fold2Bloch/Tutorials/Tutorial_1/6-atom2D$ x 
lapw1 -band
...
username at computername:~/fold2Bloch/Tutorials/Tutorial_1/6-atom2D$ mkdir f2b
username at computername:~/fold2Bloch/Tutorials/Tutorial_1/6-atom2D$ cp 
6-atom2D.vector 6-atom2D.struct 6-atom2D.klist_band f2b
username at computername:~/fold2Bloch/Tutorials/Tutorial_1/6-atom2D$ cd f2b
username at computername:~/fold2Bloch/Tutorials/Tutorial_1/6-atom2D/f2b$ mv 
6-atom2D.klist_band 6-atom2D.klist
username at computername:~/fold2Bloch/Tutorials/Tutorial_1/6-atom2D/f2b$ 
fold2Bloch -c 6-atom2D.vector 1:2:3
username at computername:~/fold2Bloch/Tutorials/Tutorial_1/6-atom2D/f2b$ 
~/fold2Bloch/fold2Bloch -c 6-atom2D.vector 1:2:3
          ***********************
          ** Fold2Bloch V 1.05 **
          ** Build May 29, 2014 **
          ***********************
       Complex calculation indicated
       FILE TO PROCESS: 6-atom2D.vector
       /\/\/\ UNFOLDING VECTOR FILE /\/\/\
       Processing K-Point: 0.000 0.909 0.000
       Processing K-Point: 0.000 0.818 0.000
       Processing K-Point: 0.000 0.727 0.000
       Processing K-Point: 0.000 0.636 0.000
       Processing K-Point: 0.000 0.545 0.000
       Processing K-Point: 0.000 0.455 0.000
       Processing K-Point: 0.000 0.364 0.000
       Processing K-Point: 0.000 0.273 0.000
       Processing K-Point: 0.000 0.182 0.000
       Processing K-Point: 0.000 0.091 0.000
       Processing K-Point: 0.000 0.000 0.000
       Processing K-Point: 0.000 0.000 0.867
       Processing K-Point: 0.000 0.000 0.733
       Processing K-Point: 0.000 0.000 0.600
       Processing K-Point: 0.000 0.000 0.467
       Processing K-Point: 0.000 0.000 0.333
       Processing K-Point: 0.000 0.000 0.200
       Processing K-Point: 0.000 0.000 0.067

       \/\/\/ UNFOLDING FINISHED SUCCESSFULLY \/\/\/
       Number of K points processed:          18
       Data was written to: 6-atom2D.f2b
       Data format: KX, KY, KZ, Eigenvalue(Ry), Weight
       6-atom2D.klist matches the vector file.

The above output indicates that the fold2Bloch executable ran successfully.

On 5/15/2016 5:24 AM, Dr. Sanjeev Kumar Srivastava wrote:
> Dear Wien2K users
>
> I am trying to compile fold2Bloch with the prescribed command line :
>
> ifort -warn all -traceback -free util.F fold2Bloch.F90 -o fold2Bloch
>
> but am getting errors which reads at the end like the following:
>
> ---------------------------------------------^
> fold2Bloch.F90(1851): error #5276: Unbalanced parentheses
>          <td id="LC347" class="blob-code blob-code-inner js-file-line">           <span class="pl-k">if</span> (args(j)<span class="pl-k">.eq.</span><span class="pl-s"><span class="pl-pds">'</span>-r<span class="pl-pds">'</span></span>) <span class="pl-k">then</span>    </td>
> --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------^
> fold2Bloch.F90(1863): error #5276: Unbalanced parentheses
>          <td id="LC350" class="blob-code blob-code-inner js-file-line">          <span class="pl-k">elseif</span> (args(j)<span class="pl-k">.eq.</span><span class="pl-s"><span class="pl-pds">'</span>-c<span class="pl-pds">'</span></span>) <span class="pl-k">then</span></td>
> -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------^
> (1865): catastrophic error: Too many errors, exiting
> (2794): catastrophic error: Too many fatal errors, exiting
> [ Aborting due to internal error. ]
> compilation aborted for fold2Bloch.F90 (code 1)
>
>
> Please help.
>
> ----------------------------------------------------------------
> Dr. Sanjeev Kumar Srivastava
> Associate Professor
> Department of Physics
> Indian Institute of Technology Kharagpur
> Kharagpur 721302
> India
>
> Ph.:     0091-3222-283854 (Office)
>           0091-3222-283855 (Residence)
> Mobile:  0091-9735444091
> ------------------------------------------------------------------
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