Re: [Wien] Compilation error of Libxc during installation of WIEN2K 23.2

2024-03-25 Thread Pranjal Nandi 
Sorry Peter,

I just realised the mistake. Please ignore my earlier mail. I will try to 
compile the libxc and wien2k again.

With warm regards,
Pranjal

-Original Message-
From: Wien  On Behalf Of Pranjal Nandi
Sent: Monday, March 25, 2024 4:06 PM
To: A Mailing list for WIEN2k users 
Subject: Re: [Wien] Compilation error of Libxc during installation of WIEN2K 
23.2

Dear Peter,

Thank you.

I might have downloaded it from a different website but I did compile it.

Just now I downloaded it from the link you had shared and tried to compile, 
when I gave the command autoreconf -i --force, I get this error.

autoreconf: error: 'configure.ac' is required

Kindly guide what should I do.

Thank you.

With warm regards,
Pranjal

-Original Message-
From: Wien  On Behalf Of Peter Blaha
Sent: Monday, March 25, 2024 3:59 PM
To: wien@zeus.theochem.tuwien.ac.at
Subject: Re: [Wien] Compilation error of Libxc during installation of WIEN2K 
23.2

The libxc site has been moved recently to:

https://libxc.gitlab.io/

After download, you have to compile it. Did you do this ?

Then you need to configure wien2k in siteconfig properly for using libxc.



Am 25.03.2024 um 15:29 schrieb Pranjal Nandi:
> Dear All,
>
> Hello.
>
> While compiling the 23.2 version, the link mentioned in the pdf (which
> contains the codes used for the compilation) to install libxc was NOT
> working
> (http://www.tddft.org/programs/libxc/down.php?file=6.2.2/libxc-6.2.2.tar.gz 
> <http://www.tddft.org/programs/libxc/down.php?file=6.2.2/libxc-6.2.2.tar.gz>).
>
> So I tried to download it from other websites and did the compilation.
> The only errors I saw are as the following.
>
> Fatal Error: Cannot open module file ‘xc_f03_lib_m.mod’ for reading at
> (1): No such file or directory
>
> compilation terminated.
>
> make[1]: *** [Makefile:176: libxc_mod.o] Error 1
>
> make[1]: Leaving directory '/home/pranjal2/WIEN2K/SRC_lapw0'
>
> make: *** [Makefile:129: para] Error 2
>
> It would be helpful if you could please guide me with the correct link
> to the libxc (I think it is because of downloading the libxc from
> other websites and not TDDFT).
>
> I also searched the forum regarding the same but I got comments about
> a very old version. Hence, I decided to ask the community for your
> assistance.
>
> Looking forward to your guidance.
>
> Thank you.
>
> With warm regards,
>
> Pranjal
>
>
>
> Aquest missatge, i els fitxers adjunts que hi pugui haver, pot
> contenir informació confidencial o protegida legalment i s’adreça
> exclusivament a la persona o entitat destinatària. Si no consteu com a
> destinatari final o no teniu l’encàrrec de rebre’l, no esteu
> autoritzat a llegir-lo, retenir-lo, modificar-lo, distribuir-lo,
> copiar-lo ni a revelar-ne el contingut. Si l’heu rebut per error,
> informeu-ne el remitent i elimineu del sistema tant el missatge com els 
> fitxers adjunts que hi pugui haver.
>
> Este mensaje, y los ficheros adjuntos que pueda incluir, puede
> contener información confidencial o legalmente protegida y está
> exclusivamente dirigido a la persona o entidad destinataria. Si usted
> no consta como destinatario final ni es la persona encargada de
> recibirlo, no está autorizado a leerlo, retenerlo, modificarlo,
> distribuirlo o copiarlo, ni a revelar su contenido. Si lo ha recibido
> por error, informe de ello al remitente y elimine del sistema tanto el
> mensaje como los ficheros adjuntos que pueda contener.
>
> This email message and any attachments it carries may contain
> confidential or legally protected material and are intended solely for
> the individual or organization to whom they are addressed. If you are
> not the intended recipient of this message or the person responsible
> for processing it, then you are not authorized to read, save, modify,
> send, copy or disclose any part of it. If you have received the
> message by mistake, please inform the sender of this and eliminate the
> message and any attachments it carries from your account.
>
>
> ___
> Wien mailing list
> Wien@zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

--
--
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
WWW:   http://www.imc.tuwien.ac.at
-
___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/lis

Re: [Wien] Compilation error of Libxc during installation of WIEN2K 23.2

2024-03-25 Thread Pranjal Nandi 
Dear Peter,

Thank you.

I might have downloaded it from a different website but I did compile it.

Just now I downloaded it from the link you had shared and tried to compile, 
when I gave the command autoreconf -i --force, I get this error.

autoreconf: error: 'configure.ac' is required

Kindly guide what should I do.

Thank you.

With warm regards,
Pranjal

-Original Message-
From: Wien  On Behalf Of Peter Blaha
Sent: Monday, March 25, 2024 3:59 PM
To: wien@zeus.theochem.tuwien.ac.at
Subject: Re: [Wien] Compilation error of Libxc during installation of WIEN2K 
23.2

The libxc site has been moved recently to:

https://libxc.gitlab.io/

After download, you have to compile it. Did you do this ?

Then you need to configure wien2k in siteconfig properly for using libxc.



Am 25.03.2024 um 15:29 schrieb Pranjal Nandi:
> Dear All,
>
> Hello.
>
> While compiling the 23.2 version, the link mentioned in the pdf (which
> contains the codes used for the compilation) to install libxc was NOT
> working
> (http://www.tddft.org/programs/libxc/down.php?file=6.2.2/libxc-6.2.2.tar.gz 
> <http://www.tddft.org/programs/libxc/down.php?file=6.2.2/libxc-6.2.2.tar.gz>).
>
> So I tried to download it from other websites and did the compilation.
> The only errors I saw are as the following.
>
> Fatal Error: Cannot open module file ‘xc_f03_lib_m.mod’ for reading at
> (1): No such file or directory
>
> compilation terminated.
>
> make[1]: *** [Makefile:176: libxc_mod.o] Error 1
>
> make[1]: Leaving directory '/home/pranjal2/WIEN2K/SRC_lapw0'
>
> make: *** [Makefile:129: para] Error 2
>
> It would be helpful if you could please guide me with the correct link
> to the libxc (I think it is because of downloading the libxc from
> other websites and not TDDFT).
>
> I also searched the forum regarding the same but I got comments about
> a very old version. Hence, I decided to ask the community for your
> assistance.
>
> Looking forward to your guidance.
>
> Thank you.
>
> With warm regards,
>
> Pranjal
>
>
>
> Aquest missatge, i els fitxers adjunts que hi pugui haver, pot
> contenir informació confidencial o protegida legalment i s’adreça
> exclusivament a la persona o entitat destinatària. Si no consteu com a
> destinatari final o no teniu l’encàrrec de rebre’l, no esteu
> autoritzat a llegir-lo, retenir-lo, modificar-lo, distribuir-lo,
> copiar-lo ni a revelar-ne el contingut. Si l’heu rebut per error,
> informeu-ne el remitent i elimineu del sistema tant el missatge com els 
> fitxers adjunts que hi pugui haver.
>
> Este mensaje, y los ficheros adjuntos que pueda incluir, puede
> contener información confidencial o legalmente protegida y está
> exclusivamente dirigido a la persona o entidad destinataria. Si usted
> no consta como destinatario final ni es la persona encargada de
> recibirlo, no está autorizado a leerlo, retenerlo, modificarlo,
> distribuirlo o copiarlo, ni a revelar su contenido. Si lo ha recibido
> por error, informe de ello al remitente y elimine del sistema tanto el
> mensaje como los ficheros adjuntos que pueda contener.
>
> This email message and any attachments it carries may contain
> confidential or legally protected material and are intended solely for
> the individual or organization to whom they are addressed. If you are
> not the intended recipient of this message or the person responsible
> for processing it, then you are not authorized to read, save, modify,
> send, copy or disclose any part of it. If you have received the
> message by mistake, please inform the sender of this and eliminate the
> message and any attachments it carries from your account.
>
>
> ___
> Wien mailing list
> Wien@zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

--
--
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
WWW:   http://www.imc.tuwien.ac.at
-
___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html


Aquest missatge, i els fitxers adjunts que hi pugui haver, pot contenir 
informació confidencial o protegida legalment i s’adreça exclusivament a la 
persona o entitat destinatària. Si no consteu com a destinatari final o no 
teniu l’encàrrec de rebre’l, no esteu

Re: [Wien] Compilation error of Libxc during installation of WIEN2K 23.2

2024-03-25 Thread Peter Blaha 

The libxc site has been moved recently to:

https://libxc.gitlab.io/

After download, you have to compile it. Did you do this ?

Then you need to configure wien2k in siteconfig properly for using libxc.



Am 25.03.2024 um 15:29 schrieb Pranjal Nandi:

Dear All,

Hello.

While compiling the 23.2 version, the link mentioned in the pdf (which 
contains the codes used for the compilation) to install libxc was NOT 
working 
(http://www.tddft.org/programs/libxc/down.php?file=6.2.2/libxc-6.2.2.tar.gz ).


So I tried to download it from other websites and did the compilation. 
The only errors I saw are as the following.


Fatal Error: Cannot open module file ‘xc_f03_lib_m.mod’ for reading at 
(1): No such file or directory


compilation terminated.

make[1]: *** [Makefile:176: libxc_mod.o] Error 1

make[1]: Leaving directory '/home/pranjal2/WIEN2K/SRC_lapw0'

make: *** [Makefile:129: para] Error 2

It would be helpful if you could please guide me with the correct link 
to the libxc (I think it is because of downloading the libxc from other 
websites and not TDDFT).


I also searched the forum regarding the same but I got comments about a 
very old version. Hence, I decided to ask the community for your 
assistance.


Looking forward to your guidance.

Thank you.

With warm regards,

Pranjal



Aquest missatge, i els fitxers adjunts que hi pugui haver, pot contenir 
informació confidencial o protegida legalment i s’adreça exclusivament a 
la persona o entitat destinatària. Si no consteu com a destinatari final 
o no teniu l’encàrrec de rebre’l, no esteu autoritzat a llegir-lo, 
retenir-lo, modificar-lo, distribuir-lo, copiar-lo ni a revelar-ne el 
contingut. Si l’heu rebut per error, informeu-ne el remitent i elimineu 
del sistema tant el missatge com els fitxers adjunts que hi pugui haver.


Este mensaje, y los ficheros adjuntos que pueda incluir, puede contener 
información confidencial o legalmente protegida y está exclusivamente 
dirigido a la persona o entidad destinataria. Si usted no consta como 
destinatario final ni es la persona encargada de recibirlo, no está 
autorizado a leerlo, retenerlo, modificarlo, distribuirlo o copiarlo, ni 
a revelar su contenido. Si lo ha recibido por error, informe de ello al 
remitente y elimine del sistema tanto el mensaje como los ficheros 
adjuntos que pueda contener.


This email message and any attachments it carries may contain 
confidential or legally protected material and are intended solely for 
the individual or organization to whom they are addressed. If you are 
not the intended recipient of this message or the person responsible for 
processing it, then you are not authorized to read, save, modify, send, 
copy or disclose any part of it. If you have received the message by 
mistake, please inform the sender of this and eliminate the message and 
any attachments it carries from your account.



___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html


--
--
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
WWW:   http://www.imc.tuwien.ac.at
-
___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Re: [Wien] Compilation error with libxc

2016-12-28 Thread Dr. K. C. Bhamu 
Thank you Prof, Peter

I put FC=ifort when libxc was installed.

The below reply may hel me but, its mixed so could not get it. Please help
to keep it in parts (the blue one),

try with this: i compiled wien2k_16.1 and it worked parfactly.
install_libxc3.00sudoapt-get install *autoconfsudoapt-get install
libtoolautoreconf-i.*/configureFC=ifort CC=iccmake,make check, (make checl |tee
results)sudomake installPath :/opt/etsf/lib/

Sincerely

Bhamu





On Tue, Dec 27, 2016 at 3:15 PM, Peter Blaha 
wrote:

>
>
> On 12/24/2016 03:24 PM, Dr. K. C. Bhamu wrote:
>
>> Dear Users,
>> I compiled Wien2k_16.1 without any error on latest 64 bit Ubuntu OS on
>> Lenovo laptop with ifort+cc (2015).
>>
>> If I install with LIBXC, I am getting below error(compile.msg file is
>> attached here):
>>
>> Compile time errors (if any) were:
>> SRC_lapw0/compile.msg:inputpars.F(6): error #7013: This module file was
>> not generated by any release of this compiler.   [XC_F03_LIB_M]
>>
>
>
> When you install the libxc you probably have to tell him, that your
> fortran compiler is ifort (and not gfortran).
>
>
>
>
>
> SRC_lapw0/compile.msg:inputpars.F(17): error #6457: This derived type
>> name has not been declared.   [XC_F03_FUNC_T]
>> SRC_lapw0/compile.msg:inputpars.F(18): error #6457: This derived type
>> name has not been declared.   [XC_F03_FUNC_INFO_T]
>> SRC_lapw0/compile.msg:inputpars.F(161): error #6404: This name does not
>> have a type, and must have an explicit type.   [XC_FUNC]
>> SRC_lapw0/compile.msg:inputpars.F(161): error #6404: This name does not
>> have a type, and must have an explicit type.   [XC_UNPOLARIZED]
>> SRC_lapw0/compile.msg:inputpars.F(162): error #6404: This name does not
>> have a type, and must have an explicit type.   [XC_INFO]
>> SRC_lapw0/compile.msg:inputpars.F(162): error #6404: This name does not
>> have a type, and must have an explicit type.   [XC_F03_FUNC_GET_INFO]
>> SRC_lapw0/compile.msg:inputpars.F(163): error #6404: This name does not
>> have a type, and must have an explicit type.
>>  [XC_F03_FUNC_INFO_GET_FAMILY]
>> SRC_lapw0/compile.msg:inputpars.F(163): error #6608: In a CASE
>> statement, the case-expr must be of type INTEGER, CHARACTER, or LOGICAL.
>>   [XC_F03_FUNC_INFO_GET_FAMILY]
>> SRC_lapw0/compile.msg:inputpars.F(164): error #6404: This name does not
>> have a type, and must have an explicit type.   [XC_FAMILY_MGGA]
>> SRC_lapw0/compile.msg:inputpars.F(164): error #6601: In a CASE
>> statement, the case-value must be a constant expression.
>>  [XC_FAMILY_MGGA]
>> SRC_lapw0/compile.msg:inputpars.F(164): error #6612: In a CASE
>> statement, the case-value must be of type INTEGER, CHARACTER, or
>> LOGICAL.   [XC_FAMILY_MGGA]
>> SRC_lapw0/compile.msg:inputpars.F(164): error #6404: This name does not
>> have a type, and must have an explicit type.   [XC_FAMILY_HYB_MGGA]
>> SRC_lapw0/compile.msg:inputpars.F(164): error #6601: In a CASE
>> statement, the case-value must be a constant expression.
>> [XC_FAMILY_HYB_MGGA]
>> SRC_lapw0/compile.msg:inputpars.F(164): error #6612: In a CASE
>> statement, the case-value must be of type INTEGER, CHARACTER, or
>> LOGICAL.   [XC_FAMILY_HYB_MGGA]
>> SRC_lapw0/compile.msg:inputpars.F(173): error #6608: In a CASE
>> statement, the case-expr must be of type INTEGER, CHARACTER, or LOGICAL.
>>   [XC_F03_FUNC_INFO_GET_FAMILY]
>> SRC_lapw0/compile.msg:inputpars.F(174): error #6601: In a CASE
>> statement, the case-value must be a constant expression.
>>  [XC_FAMILY_MGGA]
>> SRC_lapw0/compile.msg:inputpars.F(174): error #6612: In a CASE
>> statement, the case-value must be of type INTEGER, CHARACTER, or
>> LOGICAL.   [XC_FAMILY_MGGA]
>> SRC_lapw0/compile.msg:inputpars.F(174): error #6601: In a CASE
>> statement, the case-value must be a constant expression.
>> [XC_FAMILY_HYB_MGGA]
>> SRC_lapw0/compile.msg:inputpars.F(174): error #6612: In a CASE
>> statement, the case-value must be of type INTEGER, CHARACTER, or
>> LOGICAL.   [XC_FAMILY_HYB_MGGA]
>> SRC_lapw0/compile.msg:inputpars.F(189): error #6608: In a CASE
>> statement, the case-expr must be of type INTEGER, CHARACTER, or LOGICAL.
>>   [XC_F03_FUNC_INFO_GET_FAMILY]
>> SRC_lapw0/compile.msg:inputpars.F(190): error #6601: In a CASE
>> statement, the case-value must be a constant expression.
>>  [XC_FAMILY_MGGA]
>> SRC_lapw0/compile.msg:inputpars.F(190): error #6612: In a CASE
>> statement, the case-value must be of type INTEGER, CHARACTER, or
>> LOGICAL.   [XC_FAMILY_MGGA]
>> SRC_lapw0/compile.msg:inputpars.F(190): error #6601: In a CASE
>> statement, the case-value must be a constant expression.
>> [XC_FAMILY_HYB_MGGA]
>> SRC_lapw0/compile.msg:inputpars.F(190): error #6612: In a CASE
>> statement, the case-value must be of type INTEGER, CHARACTER, or
>> LOGICAL.   [XC_FAMILY_HYB_MGGA]
>> SRC_lapw0/compile.msg:inputpars.F(195): error #6608: In a CASE
>> statement, the case-expr must be of type INTEGER, CHARACTER, or LOGICAL.
>>   [XC_F03_FUNC_INFO_GET_FAMILY]
>>

Re: [Wien] Compilation error with libxc

2016-12-27 Thread Peter Blaha 



On 12/24/2016 03:24 PM, Dr. K. C. Bhamu wrote:

Dear Users,
I compiled Wien2k_16.1 without any error on latest 64 bit Ubuntu OS on
Lenovo laptop with ifort+cc (2015).

If I install with LIBXC, I am getting below error(compile.msg file is
attached here):

Compile time errors (if any) were:
SRC_lapw0/compile.msg:inputpars.F(6): error #7013: This module file was
not generated by any release of this compiler.   [XC_F03_LIB_M]



When you install the libxc you probably have to tell him, that your 
fortran compiler is ifort (and not gfortran).







SRC_lapw0/compile.msg:inputpars.F(17): error #6457: This derived type
name has not been declared.   [XC_F03_FUNC_T]
SRC_lapw0/compile.msg:inputpars.F(18): error #6457: This derived type
name has not been declared.   [XC_F03_FUNC_INFO_T]
SRC_lapw0/compile.msg:inputpars.F(161): error #6404: This name does not
have a type, and must have an explicit type.   [XC_FUNC]
SRC_lapw0/compile.msg:inputpars.F(161): error #6404: This name does not
have a type, and must have an explicit type.   [XC_UNPOLARIZED]
SRC_lapw0/compile.msg:inputpars.F(162): error #6404: This name does not
have a type, and must have an explicit type.   [XC_INFO]
SRC_lapw0/compile.msg:inputpars.F(162): error #6404: This name does not
have a type, and must have an explicit type.   [XC_F03_FUNC_GET_INFO]
SRC_lapw0/compile.msg:inputpars.F(163): error #6404: This name does not
have a type, and must have an explicit type.   [XC_F03_FUNC_INFO_GET_FAMILY]
SRC_lapw0/compile.msg:inputpars.F(163): error #6608: In a CASE
statement, the case-expr must be of type INTEGER, CHARACTER, or LOGICAL.
  [XC_F03_FUNC_INFO_GET_FAMILY]
SRC_lapw0/compile.msg:inputpars.F(164): error #6404: This name does not
have a type, and must have an explicit type.   [XC_FAMILY_MGGA]
SRC_lapw0/compile.msg:inputpars.F(164): error #6601: In a CASE
statement, the case-value must be a constant expression.   [XC_FAMILY_MGGA]
SRC_lapw0/compile.msg:inputpars.F(164): error #6612: In a CASE
statement, the case-value must be of type INTEGER, CHARACTER, or
LOGICAL.   [XC_FAMILY_MGGA]
SRC_lapw0/compile.msg:inputpars.F(164): error #6404: This name does not
have a type, and must have an explicit type.   [XC_FAMILY_HYB_MGGA]
SRC_lapw0/compile.msg:inputpars.F(164): error #6601: In a CASE
statement, the case-value must be a constant expression.
[XC_FAMILY_HYB_MGGA]
SRC_lapw0/compile.msg:inputpars.F(164): error #6612: In a CASE
statement, the case-value must be of type INTEGER, CHARACTER, or
LOGICAL.   [XC_FAMILY_HYB_MGGA]
SRC_lapw0/compile.msg:inputpars.F(173): error #6608: In a CASE
statement, the case-expr must be of type INTEGER, CHARACTER, or LOGICAL.
  [XC_F03_FUNC_INFO_GET_FAMILY]
SRC_lapw0/compile.msg:inputpars.F(174): error #6601: In a CASE
statement, the case-value must be a constant expression.   [XC_FAMILY_MGGA]
SRC_lapw0/compile.msg:inputpars.F(174): error #6612: In a CASE
statement, the case-value must be of type INTEGER, CHARACTER, or
LOGICAL.   [XC_FAMILY_MGGA]
SRC_lapw0/compile.msg:inputpars.F(174): error #6601: In a CASE
statement, the case-value must be a constant expression.
[XC_FAMILY_HYB_MGGA]
SRC_lapw0/compile.msg:inputpars.F(174): error #6612: In a CASE
statement, the case-value must be of type INTEGER, CHARACTER, or
LOGICAL.   [XC_FAMILY_HYB_MGGA]
SRC_lapw0/compile.msg:inputpars.F(189): error #6608: In a CASE
statement, the case-expr must be of type INTEGER, CHARACTER, or LOGICAL.
  [XC_F03_FUNC_INFO_GET_FAMILY]
SRC_lapw0/compile.msg:inputpars.F(190): error #6601: In a CASE
statement, the case-value must be a constant expression.   [XC_FAMILY_MGGA]
SRC_lapw0/compile.msg:inputpars.F(190): error #6612: In a CASE
statement, the case-value must be of type INTEGER, CHARACTER, or
LOGICAL.   [XC_FAMILY_MGGA]
SRC_lapw0/compile.msg:inputpars.F(190): error #6601: In a CASE
statement, the case-value must be a constant expression.
[XC_FAMILY_HYB_MGGA]
SRC_lapw0/compile.msg:inputpars.F(190): error #6612: In a CASE
statement, the case-value must be of type INTEGER, CHARACTER, or
LOGICAL.   [XC_FAMILY_HYB_MGGA]
SRC_lapw0/compile.msg:inputpars.F(195): error #6608: In a CASE
statement, the case-expr must be of type INTEGER, CHARACTER, or LOGICAL.
  [XC_F03_FUNC_INFO_GET_FAMILY]
SRC_lapw0/compile.msg:inputpars.F(196): error #6601: In a CASE
statement, the case-value must be a constant expression.   [XC_FAMILY_MGGA]
SRC_lapw0/compile.msg:inputpars.F(196): error #6612: In a CASE
statement, the case-value must be of type INTEGER, CHARACTER, or
LOGICAL.   [XC_FAMILY_MGGA]
SRC_lapw0/compile.msg:inputpars.F(196): error #6601: In a CASE
statement, the case-value must be a constant expression.
[XC_FAMILY_HYB_MGGA]
SRC_lapw0/compile.msg:inputpars.F(196): error #6612: In a CASE
statement, the case-value must be of type INTEGER, CHARACTER, or
LOGICAL.   [XC_FAMILY_HYB_MGGA]
SRC_lapw0/compile.msg:/tmp/ifort150RO5.i(813): catastrophic error: Too
many errors, exiting
SRC_lapw0/compile.msg:make[1]: *** [inputpars.o] Error 1
SRC_lapw0/compile.msg:make: *** [seq]

Re: [Wien] Compilation error with libxc

2016-12-24 Thread Nacir GUECHI 
try with this: i compiled wien2k_16.1 and it worked parfactly. 
install_libxc3.00sudoapt-get install autoconfsudoapt-get install 
libtoolautoreconf-i./configureFC=ifort CC=iccmake,make check, (make checl |tee 
results)sudomake installPath :/opt/etsf/lib/  
**
Nacir GUECHI
Dr. Physique de la matière solide.Enseignant-Chercheur à l'université du Dr. 
Yahia FARES de Médéa,  Algeria (www.univ-media.dz).Laboratoire d'études des 
surfaces et interfaces des matériaux solides (L.E.S.I.M.S), université Sétif1 
(Algeria)http://laboratoires.univ-setif.dz/L.E.S.I.M.S/ 

Le Samedi 24 décembre 2016 15h25, Dr. K. C. Bhamu  a 
écrit :
 

 Dear Users,I compiled Wien2k_16.1 without any error on latest 64 bit Ubuntu OS 
on Lenovo laptop with ifort+cc (2015).
If I install with LIBXC, I am getting below error(compile.msg file is attached 
here):
Compile time errors (if any) were:SRC_lapw0/compile.msg:inputpars.F(6): error 
#7013: This module file was not generated by any release of this compiler.   
[XC_F03_LIB_M]SRC_lapw0/compile.msg:inputpars.F(17): error #6457: This derived 
type name has not been declared.   
[XC_F03_FUNC_T]SRC_lapw0/compile.msg:inputpars.F(18): error #6457: This derived 
type name has not been declared.   
[XC_F03_FUNC_INFO_T]SRC_lapw0/compile.msg:inputpars.F(161): error #6404: This 
name does not have a type, and must have an explicit type.   
[XC_FUNC]SRC_lapw0/compile.msg:inputpars.F(161): error #6404: This name does 
not have a type, and must have an explicit type.   
[XC_UNPOLARIZED]SRC_lapw0/compile.msg:inputpars.F(162): error #6404: This name 
does not have a type, and must have an explicit type.   
[XC_INFO]SRC_lapw0/compile.msg:inputpars.F(162): error #6404: This name does 
not have a type, and must have an explicit type.   
[XC_F03_FUNC_GET_INFO]SRC_lapw0/compile.msg:inputpars.F(163): error #6404: This 
name does not have a type, and must have an explicit type.   
[XC_F03_FUNC_INFO_GET_FAMILY]SRC_lapw0/compile.msg:inputpars.F(163): error 
#6608: In a CASE statement, the case-expr must be of type INTEGER, CHARACTER, 
or LOGICAL.   
[XC_F03_FUNC_INFO_GET_FAMILY]SRC_lapw0/compile.msg:inputpars.F(164): error 
#6404: This name does not have a type, and must have an explicit type.   
[XC_FAMILY_MGGA]SRC_lapw0/compile.msg:inputpars.F(164): error #6601: In a CASE 
statement, the case-value must be a constant expression.   
[XC_FAMILY_MGGA]SRC_lapw0/compile.msg:inputpars.F(164): error #6612: In a CASE 
statement, the case-value must be of type INTEGER, CHARACTER, or LOGICAL.   
[XC_FAMILY_MGGA]SRC_lapw0/compile.msg:inputpars.F(164): error #6404: This name 
does not have a type, and must have an explicit type.   
[XC_FAMILY_HYB_MGGA]SRC_lapw0/compile.msg:inputpars.F(164): error #6601: In a 
CASE statement, the case-value must be a constant expression.   
[XC_FAMILY_HYB_MGGA]SRC_lapw0/compile.msg:inputpars.F(164): error #6612: In a 
CASE statement, the case-value must be of type INTEGER, CHARACTER, or LOGICAL.  
 [XC_FAMILY_HYB_MGGA]SRC_lapw0/compile.msg:inputpars.F(173): error #6608: In a 
CASE statement, the case-expr must be of type INTEGER, CHARACTER, or LOGICAL.   
[XC_F03_FUNC_INFO_GET_FAMILY]SRC_lapw0/compile.msg:inputpars.F(174): error 
#6601: In a CASE statement, the case-value must be a constant expression.   
[XC_FAMILY_MGGA]SRC_lapw0/compile.msg:inputpars.F(174): error #6612: In a CASE 
statement, the case-value must be of type INTEGER, CHARACTER, or LOGICAL.   
[XC_FAMILY_MGGA]SRC_lapw0/compile.msg:inputpars.F(174): error #6601: In a CASE 
statement, the case-value must be a constant expression.   
[XC_FAMILY_HYB_MGGA]SRC_lapw0/compile.msg:inputpars.F(174): error #6612: In a 
CASE statement, the case-value must be of type INTEGER, CHARACTER, or LOGICAL.  
 [XC_FAMILY_HYB_MGGA]SRC_lapw0/compile.msg:inputpars.F(189): error #6608: In a 
CASE statement, the case-expr must be of type INTEGER, CHARACTER, or LOGICAL.   
[XC_F03_FUNC_INFO_GET_FAMILY]SRC_lapw0/compile.msg:inputpars.F(190): error 
#6601: In a CASE statement, the case-value must be a constant expression.   
[XC_FAMILY_MGGA]SRC_lapw0/compile.msg:inputpars.F(190): error #6612: In a CASE 
statement, the case-value must be of type INTEGER, CHARACTER, or LOGICAL.   
[XC_FAMILY_MGGA]SRC_lapw0/compile.msg:inputpars.F(190): error #6601: In a CASE 
statement, the case-value must be a constant expression.   
[XC_FAMILY_HYB_MGGA]SRC_lapw0/compile.msg:inputpars.F(190): error #6612: In a 
CASE statement, the case-value must be of type INTEGER, CHARACTER, or LOGICAL.  
 [XC_FAMILY_HYB_MGGA]SRC_lapw0/compile.msg:inputpars.F(195): error #6608: In a 
CASE statement, the case-expr must be of type INTEGER, CHARACTER, or LOGICAL.   
[XC_F03_FUNC_INFO_GET_FAMILY]SRC_lapw0/compile.msg:inputpars.F(196): error 
#6601: In a CASE statement, the case-value must be a constant expression.   
[XC_FAMILY_MGGA]SRC_lapw0/compile.msg:inputpars.F(196): error #6612: In a CASE 
statement, the