[QE-users] Is "block" a FORTRAN keyword? I see funny color in line qe-6.6/Modules/input_parameters.f90:656 when I open the file with VSCode or gedit

连云龙 lianyl at ihep.ac.cn
Tue Oct 13 04:01:35 CEST 2020


thanks for all the quick replies!

I have created a github repo for my project.

https://github.com/algorithmx/QE/

I am trying to break QE into small modules so that I can use Julia "ccall()" to wrap up some functions.

( As you can see from the .jl files (Julia source code) in the repo, I start with the kpoint generation. )

What I wanted to do is to compile several relevant files into a minimal dynamical library "QE_minimal.so", and then wrap up the functions.

************************************************************

To Lorenzo :

The "Makefile" I use to compile is

https://github.com/algorithmx/QE/blob/master/minimal/src/Makefile

(you need to download the folder "1/" from the repo and modify "Makefile" by changing the workspace folder and the QE source code path in the copy section)

and the output of command `bash Makefile` on my laptop is




(base) xxx at XXXX:~/jianguoyun/Workspace/QE/minimal/src$ bash Makefile
|----------------------  gcc --version  ----------------------
gcc (Ubuntu 8.3.0-6ubuntu1) 8.3.0
Copyright (C) 2018 Free Software Foundation, Inc.
This is free software; see the source for copying conditions.  There is NO
warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.

|----------------------  gfortran --version  -----------------
GNU Fortran (Ubuntu 7.5.0-3ubuntu1~18.04) 7.5.0
Copyright (C) 2017 Free Software Foundation, Inc.
This is free software; see the source for copying conditions.  There is NO
warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.

|----------------------  mpif90 --version  -------------------
GNU Fortran (Ubuntu 7.5.0-3ubuntu1~18.04) 7.5.0
Copyright (C) 2017 Free Software Foundation, Inc.
This is free software; see the source for copying conditions.  There is NO
warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.

|----------------------  mpif90 -showme  ---------------------
gfortran -I/usr/lib/x86_64-linux-gnu/openmpi/include -pthread -I/usr/lib/x86_64-linux-gnu/openmpi/lib -Wl,--enable-new-dtags -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi
|----------------------  rm *.o  *.mod *.so *.f90  ------------
REMOVING ALL *.f90 SOURCE CODES !!!
rm: remove 73 arguments? y
|----------------------  copying files  ...  -----------------
|----------------------  compile -----------------------------
f951: Fatal Error: Reading module ‘input_parameters’ at line 1703 column 5: Unexpected EOF
compilation terminated.
(base) xxx at XXXX:~/jianguoyun/Workspace/QE/minimal/src$




*******************************************************




To Paolo:

Yes I am also confused ... I compile with QE version 6.6.



















































--
------------------- 连云龙 | Yunlong LIAN ORCID : https://orcid.org/0000-0002-9474-2181 中国散裂中子源 | CSNS 中子科学部 | Dongguan Neutron Science Center 中国广东省东莞市 | Dongguan, Guangdong, P. R. China
-----Original Messages-----
From:pdelugas at sissa.it
Sent Time:2020-10-12 19:46:20 (Monday)
To: "Quantum ESPRESSO users Forum" <users at lists.quantum-espresso.org>
Cc:
Subject: Re: [QE-users] Is "block" a FORTRAN keyword? I see funny color in line qe-6.6/Modules/input_parameters.f90:656 when I open the file with VSCode or gedit


It should be something related to reading of the .mod file I guess. The error  says "reading module". Try to touch input_parameters.f90 and restart the compilation. 


Il 12 ott 2020 1:19 PM, Paolo Giannozzi <p.giannozzi at gmail.com> ha scritto:

On Mon, Oct 12, 2020 at 11:09 AM 连云龙 <lianyl at ihep.ac.cn> wrote:


When I open the source file input_parameters.f90 with VSCode or gedit, I saw a highlighted word "block" in line 656.


"block" is a bad choice for a variable name (it is also a fortran statement) but I don't think it is related to your compilation problem. If it were, you would get a different error message.



The current (development version) file input_parameters.f90 has less than 1662 lines, by the way, so I don't see how it can fail at line 1703.



Paolo

--

Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222



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