[Wien] Problem in All compilation

[Shahid Mahmood Chaudhry]

Thanks Professor try to resolve according to your suggestion

________________________________
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Gavin Abo <gabo13279 at gmail.com>
Sent: Thursday, November 16, 2023 5:53:33 AM
To: wien at zeus.theochem.tuwien.ac.at
Subject: Re: [Wien] Problem in All compilation


It looks like it tells you exactly what is wrong as it has:


SRC_3ddens/compile.msg:Fatal Error: Cannot open included file ‘fftw3.f03’


That error is likely from a file permissions problem.  Typically, both fftw3 and WIEN2k are installed as a user.  It could be caused by fftw-3.3.10.tar.gz [1] being installed as root or superuser instead of as a user with WIEN2k being install as a user.


On the other hand, if you installed fftw3 in Ubuntu 23.10 using the package manager [2] (e.g., sudo apt-get install -y fftw3 [3]), it is hard to say what is causing the opening of the fftw3.f03 file to fail.


Ubuntu 23.10 is unstable which is why it is quite common to the use the stable LTS version that is currently Ubuntu 22.04.3 [4].  Ubuntu 22.04.2 (or 22.04.3 LTS) is what I have installed WIEN2k on before [5].


If the failure of reading the fftw3.f03 from your fftw3 installation is from a file permission problem, then the chmod command [6] would be needed to fix it.


[1] https://www.fftw.org/download.html

[2] https://launchpad.net/ubuntu/+source/fftw3

[3] https://zoomadmin.com/HowToInstall/UbuntuPackage/fftw3

[4] https://ubuntu.com/download/desktop

[5] https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k23.2_Ubuntu22.04_Install_with_gfortran.pdf

[6] https://en.wikipedia.org/wiki/Chmod


Kind Regards,

Gavin

WIEN2k user


On 11/15/2023 6:52 PM, Shahid Mahmood Chaudhry via Wien wrote:

Dear Sir

Where is the problem and how to solve it


Ubuntu 23.1

Wien2k 23.2

Libxc

Openblas

fftw3

gfortran compiler


Compile time errors (if any) were:
SRC_3ddens/compile.msg:Fatal Error: Cannot open included file ‘fftw3.f03’
SRC_3ddens/compile.msg:make: *** [Makefile:84: fft_modules.o] Error 1
SRC_afmsim/compile.msg:collect2: error: ld returned 1 exit status
SRC_afmsim/compile.msg:make: *** [Makefile:68: afmsim] Error 1
SRC_aim/compile.msg:collect2: error: ld returned 1 exit status
SRC_aim/compile.msg:make[1]: *** [Makefile:93: aim] Error 1
SRC_aim/compile.msg:make: *** [Makefile:85: real] Error 2
SRC_aim/compile.msg:collect2: error: ld returned 1 exit status
SRC_aim/compile.msg:make[1]: *** [Makefile:96: aimc] Error 1
SRC_aim/compile.msg:make: *** [Makefile:88: complex] Error 2
SRC_clminter/compile.msg:collect2: error: ld returned 1 exit status
SRC_clminter/compile.msg:make: *** [Makefile:52: clminter] Error 1
SRC_dipan/compile.msg:collect2: error: ld returned 1 exit status
SRC_dipan/compile.msg:make: *** [Makefile:68: dipan] Error 1
SRC_dstart/compile.msg:collect2: error: ld returned 1 exit status
SRC_dstart/compile.msg:make[1]: *** [Makefile:99: dstart] Error 1
SRC_dstart/compile.msg:make: *** [Makefile:90: seq] Error 2
SRC_eosfit6/compile.msg:collect2: error: ld returned 1 exit status
SRC_eosfit6/compile.msg:make: *** [Makefile:36: eosfit6] Error 1
SRC_filtvec/compile.msg:collect2: error: ld returned 1 exit status
SRC_filtvec/compile.msg:make[1]: *** [Makefile:82: filtvec] Error 1
SRC_filtvec/compile.msg:make: *** [Makefile:72: real] Error 2

Thanks



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