Re: [Wien] Problem in All compilation

2023-11-17 Thread Peter Blaha

You have error in almost all programs, also in thos which do not use fftw.

You need to look directly into compile.msg to get more info about your 
problem.


Am 16.11.2023 um 02:52 schrieb Shahid Mahmood Chaudhry via Wien:

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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--
--
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300
Email: peter.bl...@tuwien.ac.atWIEN2k: http://www.wien2k.at
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Re: [Wien] Problem in All compilation

2023-11-15 Thread Shahid Mahmood Chaudhry via Wien
Thanks Professor try to resolve according to your suggestion


From: Wien  on behalf of Gavin Abo 

Sent: Thursday, November 16, 2023 5:53:33 AM
To: wien@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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This communication is intended for the above named person and is confidential 
and / or legally privileged. Any opinion(s) expressed in this communication are 
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error you must take no action based upon it, nor must you print it, copy it, 
forward it, or show it to anyone. Please delete and destroy the e-mail and any 
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KSU is not responsible for the political, religious, racial or partisan opinion 
in any correspondence conducted by its domain users. Therefore, any such 
opinion expressed, whether explicitly or implicitly, in any said correspondence 
is not to be interpreted as that of KSU.
KSU may monitor all incoming and outgoing e-mails in line with KSU business 
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are free from any virus, we advise that, in keeping with best business 
practice, the recipient must ensure they are actually virus free.


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Re: [Wien] Problem in All compilation

2023-11-15 Thread Gavin Abo

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






Disclaimer:
This communication is intended for the above named person and is 
confidential and / or legally privileged. Any opinion(s) expressed in 
this communication are not necessarily those of KSU (King Saud 
University). If it has come to you in error you must take no action 
based upon it, nor must you print it, copy it, forward it, or show it 
to anyone. Please delete and destroy the e-mail and any attachments 
and inform the sender immediately. Thank you.
KSU is not responsible for the political, religious, racial or 
partisan opinion in any correspondence conducted by its domain users. 
Therefore, any such opinion expressed, whether explicitly or 
implicitly, in any said correspondence is not to be interpreted as 
that of KSU.
KSU may monitor all incoming and outgoing e-mails in line with KSU 
business practice. Although KSU has taken steps to ensure that e-mails 
and attachments are free from any virus, we advise that, in keeping 
with best business practice, the recipient must ensure they are 
actually virus free.
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