Re: [Pw_forum] version.f90 not found durin installation of qe-6.2

2017-10-06 Thread José Carlos Conesa 

Hi Paolo,

El 06/10/2017 a las 10:59, Paolo Giannozzi escribió:

 $ grep finclude make.inc
IFLAGS = -I$(TOPDIR)/include -I$(TOPDIR)/FoX/finclude 
-I../include/ -I/opt/intel/mkl/include


is $(TOPDIR)/FoX/finclude there, and does it contain compiled modules?

I see the cause of this problem. I was using, like for qe-6.1, the 
following call to configure:


./configure --with-scalapack=intel ARCH=x86_64 F90=ifort MPIF90=mpiifort 
LIBDIRS="/opt/intel/composer_xe_2015.1.133/mkl/lib/intel64 
/opt/fftw-3.2.2/lib" IFLAGS="-I/opt/fftw-3.2.2/include -I../include"


This explains that, although $(TOPDIR)/FoX/finclude does contain many 
modules,

$ grep finclude make.inc
gives nothing, as indeed in make.inc I have this:

IFLAGS = -I/opt/fftw-3.2.2/include -I../include

I thus have added -I../FoX/finclude to the configure call and that 
problem disappears.

Now I find a new one, as I get these other errors:

pw_restart_new.f90(18): error #7002: Error in opening the compiled 
module file.  Check INCLUDE paths.   [FOX_WXML]

  USE qes_module
--^
pw_restart_new.f90(142): error #6618: The INTERFACE/CONTAINS stack is 
full. This means that modules are being 'used' in a circular way.   
[QES_LIBS_MODULE]

  ALLOCATE( ngk_g( nkstot ) )
^
pw_restart_new.f90(142): error #6618: The INTERFACE/CONTAINS stack is 
full. This means that modules are being 'used' in a circular way.   
[FOX_WXML]

  ALLOCATE( ngk_g( nkstot ) )
^
pw_restart_new.f90(116): error #7002: Error in opening the compiled 
module file.  Check INCLUDE paths.   [FOX_WXML]
  USE qexsd_input,  ONLY : qexsd_init_k_points_ibz, 
qexsd_init_occupations, qexsd_init_smearing

--^
pw_restart_new.f90(696): error #6618: The INTERFACE/CONTAINS stack is 
full. This means that modules are being 'used' in a circular way.   
[FOX_WXML]

  ierr = 0
^
pw_restart_new.f90(677): error #7002: Error in opening the compiled 
module file.  Check INCLUDE paths.   [FOX_WXML]
  USE qes_libs_module,  ONLY : qes_write_input, 
qes_write_output, qes_write_parallel_info, &

--^

I verified that qes_module.mod does appear in Modules directory. Which 
can be the problem then?

Regards,

--
José C. Conesa
Instituto de Catálisis y Petroleoquímica, CSIC
Marie Curie 2, Madrid, Spain
www.icp.csic.es
Tel. (+34)915854766

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Re: [Pw_forum] version.f90 not found durin installation of qe-6.2

2017-10-06 Thread Paolo Giannozzi 
On Thu, Oct 5, 2017 at 8:18 PM, José C. Conesa  wrote:

The point is that after running ./configure the file disappears; one does
> not expect that configure would do such thing.
>

"configure" itself doesn't, but the "./configure" script that calls the
true "configure" cleans everything. If however you edit Modules/Makefile as
explained, this doesn't happen any longer

error #6457: This derived type name has not been declared.   [XMLF_T]
>
>TYPE(xmlf_t)  :: xp
>
> and compilation aborts. What to do?
>
 $ grep finclude make.inc
IFLAGS = -I$(TOPDIR)/include -I$(TOPDIR)/FoX/finclude -I../include/
-I/opt/intel/mkl/include

is $(TOPDIR)/FoX/finclude there, and does it contain compiled modules?

> In any case, if the tarball is -rc maybe I cannot rely on its results...
>
you can (or cannot) as usual

Paolo


> Best,
> José Carlos
> El 05/10/2017 a las 19:01, Paolo Giannozzi escribió:
>
> On Thu, Oct 5, 2017 at 4:05 PM, José Carlos Conesa 
> wrote:
>
>
>> I do not understand what you mean by "unlikely"; this qe-6.2 version is
>> available in the normal qe download page. Maybe the -rc suffix means
>> pre-release; I did not know it.
>>
>
> "rc" = "release candidate" in the jargon of geeks. Note that the release
> hasn't been announced yet. Of course everybody is welcome to test it and to
> report problems.
>
>
>> I could not find any file named version.f90 in the tarball
>>
>
> I could:
> $ tar -tzvf qe-6.2.tar.gz qe-6.2/Modules/version.f90
> -rw-r--r-- giannozz/giannozz 510 2017-09-26 15:35
> qe-6.2/Modules/version.f90
> The file version.f90 is attached
>
> Paolo
>
>
>> , and what should one do otherwise with Modules/Makefile is unclear.
>> Please tell if one should refrain from using that version while it has
>> the -rc suffix.
>> Regards,
>> José Carlos
>> El 05/10/2017 a las 13:58, Paolo Giannozzi escribió:
>>
>> On Thu, Oct 5, 2017 at 1:43 PM, José Carlos Conesa 
>> wrote:
>>
>>
>>> I have downloaded qe 6.2
>>
>>
>> unlikely: what is available is a pre-release, for testing
>>
>>
>>> Compilation starts [...] then aborts with the
>>> message that version.f90 cannot be found.
>>
>>
>> see here: http://qe-forge.org/pipermail/pw_forum/2017-September/113895
>> .html
>>
>> Paolo
>>
>> --
>> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>> Phone +39-0432-558216 <+39%200432%20558216>, fax +39-0432-558222
>> <+39%200432%20558222>
>>
>>
>>
>> ___
>> Pw_forum mailing 
>> listPw_forum@pwscf.orghttp://pwscf.org/mailman/listinfo/pw_forum
>>
>>
>>
>> --
>> José C. Conesa
>> Director
>> Instituto de Catálisis y Peroleoquímica, CSIC
>> Campus de Excelencia UAM-CSIC
>> Marie Curie 2, Cantoblanco
>> 28049 Madrid, Spain
>> Tel. +34-915854766 <+34%20915%2085%2047%2066>   Fax +34-915854760 
>> <+34%20915%2085%2047%2060>
>>
>>
>> ___
>> Pw_forum mailing list
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>> http://pwscf.org/mailman/listinfo/pw_forum
>>
>> --
>> 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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>
>
> --
> José C. Conesa
> Instituto de Catálisis y Petroleoquímica, CSIC
> Marie Curie 2, Cantoblanco
> 28049 Madrid, Spain
> Tel. (+34)915854766 <+34%20915%2085%2047%2066>
>
>
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-- 
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Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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Re: [Pw_forum] version.f90 not found durin installation of qe-6.2

2017-10-05 Thread José C. Conesa 

Dear Paolo,

Well.. indeed I have verified now that file version.f90 is included 
where you say. The point is that after running ./configure the file 
disappears; one does not expect that configure would do such thing.


The remedy is to do, _befor__e r__unning ./configure_, as said in the 
link you mentioned in you first reply. Which obviously I had not 
interpreted well. I had looked not in the tarball but in the result of 
untarring it. I presume that you will modify Modules/Makefile as needed 
one of these days.


But now another problem appears: when compiling Modules/qes_libs.f90 
this error appearsmany times:


 error #6457: This derived type name has not been declared.   [XMLF_T]
   TYPE(xmlf_t)  :: xp

and compilation aborts. What to do?

In any case, if the tarball is -rc maybe I cannot rely on its results...

Best,
José Carlos
El 05/10/2017 a las 19:01, Paolo Giannozzi escribió:
On Thu, Oct 5, 2017 at 4:05 PM, José Carlos Conesa 
> wrote:


I do not understand what you mean by "unlikely"; this qe-6.2
version is available in the normal qe download page. Maybe the -rc
suffix means pre-release; I did not know it.


"rc" = "release candidate" in the jargon of geeks. Note that the 
release hasn't been announced yet. Of course everybody is welcome to 
test it and to report problems.


I could not find any file named version.f90 in the tarball


I could:
$ tar -tzvf qe-6.2.tar.gz qe-6.2/Modules/version.f90
-rw-r--r-- giannozz/giannozz 510 2017-09-26 15:35 
qe-6.2/Modules/version.f90

The file version.f90 is attached

Paolo

, and what should one do otherwise with Modules/Makefile is unclear.
Please tell if one should refrain from using that version while it
has the -rc suffix.
Regards,
José Carlos
El 05/10/2017 a las 13:58, Paolo Giannozzi escribió:

On Thu, Oct 5, 2017 at 1:43 PM, José Carlos Conesa
> wrote:

I have downloaded qe 6.2


unlikely: what is available is a pre-release, for testing

Compilation starts [...] then aborts with the
message that version.f90 cannot be found.


see here:
http://qe-forge.org/pipermail/pw_forum/2017-September/113895.html


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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-- 
José C. Conesa

Director
Instituto de Catálisis y Peroleoquímica, CSIC
Campus de Excelencia UAM-CSIC
Marie Curie 2, Cantoblanco
28049 Madrid, Spain
Tel.+34-915854766 Fax+34-915854760 



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-- 
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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--
José C. Conesa
Instituto de Catálisis y Petroleoquímica, CSIC
Marie Curie 2, Cantoblanco
28049 Madrid, Spain
Tel. (+34)915854766

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Re: [Pw_forum] version.f90 not found durin installation of qe-6.2

2017-10-05 Thread Paolo Giannozzi 
On Thu, Oct 5, 2017 at 4:05 PM, José Carlos Conesa 
wrote:


> I do not understand what you mean by "unlikely"; this qe-6.2 version is
> available in the normal qe download page. Maybe the -rc suffix means
> pre-release; I did not know it.
>

"rc" = "release candidate" in the jargon of geeks. Note that the release
hasn't been announced yet. Of course everybody is welcome to test it and to
report problems.


> I could not find any file named version.f90 in the tarball
>

I could:
$ tar -tzvf qe-6.2.tar.gz qe-6.2/Modules/version.f90
-rw-r--r-- giannozz/giannozz 510 2017-09-26 15:35 qe-6.2/Modules/version.f90
The file version.f90 is attached

Paolo


> , and what should one do otherwise with Modules/Makefile is unclear.
> Please tell if one should refrain from using that version while it has the
> -rc suffix.
> Regards,
> José Carlos
> El 05/10/2017 a las 13:58, Paolo Giannozzi escribió:
>
> On Thu, Oct 5, 2017 at 1:43 PM, José Carlos Conesa 
> wrote:
>
>
>> I have downloaded qe 6.2
>
>
> unlikely: what is available is a pre-release, for testing
>
>
>> Compilation starts [...] then aborts with the
>> message that version.f90 cannot be found.
>
>
> see here: http://qe-forge.org/pipermail/pw_forum/2017-September/113895
> .html
>
> Paolo
>
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216 <+39%200432%20558216>, fax +39-0432-558222
> <+39%200432%20558222>
>
>
>
> ___
> Pw_forum mailing 
> listPw_forum@pwscf.orghttp://pwscf.org/mailman/listinfo/pw_forum
>
>
>
> --
> José C. Conesa
> Director
> Instituto de Catálisis y Peroleoquímica, CSIC
> Campus de Excelencia UAM-CSIC
> Marie Curie 2, Cantoblanco
> 28049 Madrid, Spain
> Tel. +34-915854766 <+34%20915%2085%2047%2066>   Fax +34-915854760 
> <+34%20915%2085%2047%2060>
>
>
> ___
> Pw_forum mailing list
> Pw_forum@pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
> --
> 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
>
>
>
> 


!
! Copyright (C) 2003-2017 Quantum ESPRESSO group
! This file is distributed under the terms of the
! GNU General Public License. See the file `License'
! in the root directory of the present distribution,
! or http://www.gnu.org/copyleft/gpl.txt .
!
!
MODULE global_version
  !
  IMPLICIT NONE
  !
  SAVE
  !
  CHARACTER (LEN=6) :: version_number = '6.2'
  CHARACTER (LEN=12) :: svn_revision = '13866'
  !
END MODULE global_version
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Re: [Pw_forum] version.f90 not found durin installation of qe-6.2

2017-10-05 Thread José Carlos Conesa 

Hi Paolo,
I do not understand what you mean by "unlikely"; this qe-6.2 version is 
available in the normal qe download page. Maybe the -rc suffix means 
pre-release; I did not know it.
In any case, the indication in the link that you give does not suffice: 
at least I could not find any file named version.f90 in the tarball, and 
what should one do otherwise with Modules/Makefile is unclear.
Please tell if one should refrain from using that version while it has 
the -rc suffix.

Regards,
José Carlos
El 05/10/2017 a las 13:58, Paolo Giannozzi escribió:
On Thu, Oct 5, 2017 at 1:43 PM, José Carlos Conesa 
> wrote:


I have downloaded qe 6.2


unlikely: what is available is a pre-release, for testing

Compilation starts [...] then aborts with the
message that version.f90 cannot be found.


see here: 
http://qe-forge.org/pipermail/pw_forum/2017-September/113895.html 



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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--
José C. Conesa
Director
Instituto de Catálisis y Peroleoquímica, CSIC
Campus de Excelencia UAM-CSIC
Marie Curie 2, Cantoblanco
28049 Madrid, Spain
Tel. +34-915854766   Fax +34-915854760

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Re: [Pw_forum] version.f90 not found durin installation of qe-6.2

2017-10-05 Thread Paolo Giannozzi 
On Thu, Oct 5, 2017 at 1:43 PM, José Carlos Conesa 
wrote:


> I have downloaded qe 6.2


unlikely: what is available is a pre-release, for testing


> Compilation starts [...] then aborts with the
> message that version.f90 cannot be found.


see here: http://qe-forge.org/pipermail/pw_forum/2017-September/113895.html

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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[Pw_forum] version.f90 not found durin installation of qe-6.2

2017-10-05 Thread José Carlos Conesa 
Hi,

I have downloaded qe 6.2, run ./configure and given the make all 
command. Compilation starts and generates in the bin folder the iotk, 
iotk_print_kinds.x and iotk.x executables, but then aborts with the 
message that version.f90 cannot be found. Please help.

Thanks,

-- 
José C. Conesa
Instituto de Catálisis y Petroleoquímica, CSIC
Marie Curie 2, Madrid, Spain
www.icp.csic.es
Tel. (+34)915854766

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