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@computername:~$ wget -O fold2Bloch.zip
https://github.com/rubel75/fold2Bloch/archive/master.zip
...
username@computername:~$ unzip fold2Bloch.zip
...
username@computername:~$ mv fold2Bloch-master/ fold2Bloch/
Compiled fold2Bloch:
username@computername:~/Downloads$ cd fold2Bloch/
username@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@computername:~/fold2Bloch$ cd Tutorials/Tutorial_1/
username@computername:~/fold2Bloch/Tutorials/Tutorial_1$ mkdir 6-atom2D
username@computername:~/fold2Bloch/Tutorials/Tutorial_1/6-atom2D$ cp
../6-atom2D.* .
username@computername:~/fold2Bloch/Tutorials/Tutorial_1/6-atom2D$
init_lapw -b -numk 100
...
username@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@computername:~/fold2Bloch/Tutorials/Tutorial_1/6-atom2D$ x
lapw1 -band
...
username@computername:~/fold2Bloch/Tutorials/Tutorial_1/6-atom2D$ mkdir f2b
username@computername:~/fold2Bloch/Tutorials/Tutorial_1/6-atom2D$ cp
6-atom2D.vector 6-atom2D.struct 6-atom2D.klist_band f2b
username@computername:~/fold2Bloch/Tutorials/Tutorial_1/6-atom2D$ cd f2b
username@computername:~/fold2Bloch/Tutorials/Tutorial_1/6-atom2D/f2b$ mv
6-atom2D.klist_band 6-atom2D.klist
username@computername:~/fold2Bloch/Tutorials/Tutorial_1/6-atom2D/f2b$
fold2Bloch -c 6-atom2D.vector 1:2:3
username@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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