compilation problem etsf

Dear Sylvian,

it is possible that the ETSF support was broken during the migration to 1.8 version. there are two solutions:

1) You correct the indicated lines into

 spnames = f_malloc_str(len(spnames),at%astruct%ntypes,id='spnames')

call f_free_str(len(spnames),spnames)

2) you try to compile with the latest version and see if you encounter the same problem.

Do not hesitate

Many thanks

Luigi

Hi

Thanks. I corrected and thus routine compiled. But it seams that there are
additional problems in all the etsf routine that appear one by one. (I had
problems that I dont remember with v. 1.8 and prefer to stick with 1.7.7).
The new problems are here:

gfortran -I. -I../includes -I./wavelib -I../libABINIT/src -I/usr/include
-I/usr/include -I/usr/include/mpich -g -O2 -c -o i-o-etsf.o `test -f
'wavelib/i-o-etsf.f90' || echo './'`wavelib/i-o-etsf.f90
wavelib/i-o-etsf.f90:208.34:

      logrid_c = f_malloc((/ 0.to.n1, 0.to.n2, 0.to.n3 /),id='logrid_c')
                                  1
Error: Unknown operator 'to' at (1)
wavelib/i-o-etsf.f90:208.43:

      logrid_c = f_malloc((/ 0.to.n1, 0.to.n2, 0.to.n3 /),id='logrid_c')
                                           1
Error: Unknown operator 'to' at (1)
wavelib/i-o-etsf.f90:208.52:

      logrid_c = f_malloc((/ 0.to.n1, 0.to.n2, 0.to.n3 /),id='logrid_c')
                                                    1
Error: Unknown operator 'to' at (1)
wavelib/i-o-etsf.f90:209.34:

      logrid_f = f_malloc((/ 0.to.n1, 0.to.n2, 0.to.n3 /),id='logrid_f')
                                  1
Error: Unknown operator 'to' at (1)
wavelib/i-o-etsf.f90:209.43:

      logrid_f = f_malloc((/ 0.to.n1, 0.to.n2, 0.to.n3 /),id='logrid_f')
                                           1
Error: Unknown operator 'to' at (1)
wavelib/i-o-etsf.f90:209.52:

      logrid_f = f_malloc((/ 0.to.n1, 0.to.n2, 0.to.n3 /),id='logrid_f')
                                                    1
Error: Unknown operator 'to' at (1)
wavelib/i-o-etsf.f90:293.7:

   use internal_etsf
       1
Fatal Error: Can't open module file 'internal_etsf.mod' for reading at (1):
No such file or directory
make[3]: *** [i-o-etsf.o] Error 1
m

On Tue, Nov 8, 2016 at 12:37 AM, Luigi Genovese <
<email address hidden>> wrote:

> Your question #403866 on BigDFT changed:
> https://answers.launchpad.net/bigdft/+question/403866
>
> Status: Open => Answered
>
> Luigi Genovese proposed the following answer:
> Dear Sylvian,
>
> it is possible that the ETSF support was broken during the migration to
> 1.8 version. there are two solutions:
>
> 1) You correct the indicated lines into
>
> spnames = f_malloc_str(len(spnames),at%astruct%ntypes,id='spnames')
>
> call f_free_str(len(spnames),spnames)
>
> 2) you try to compile with the latest version and see if you encounter
> the same problem.
>
> Do not hesitate
>
> Many thanks
>
> Luigi
>
> --
> If this answers your question, please go to the following page to let us
> know that it is solved:
> https://answers.launchpad.net/bigdft/+question/403866/+confirm?answer_id=0
>
> If you still need help, you can reply to this email or go to the
> following page to enter your feedback:
> https://answers.launchpad.net/bigdft/+question/403866
>
> You received this question notification because you asked the question.
>

--
Sylvian (gmail: <email address hidden>)

THe operator .to. comes from use association of the "dynamic_memory" module.
Try by putting the line

use dynamic_memory

where appropriate.
Another possiblity is to switch off etsf support in the configure line.

I advise you to rather post here the problem you may have with version 1.8.
Older version are no longer maintained and new features are developing.

Many thanks

Luigi

Hi Luigi

I want the wavefunctions (actually I want them in the momentum space) so I
dont think I can dispense with etsf.

I put in the
        use dynamic_memory
and also
        use locregs, only : deallocate_wfd

all the routines compiled OK but there is a problem at the link stage:

libbigdft-1.a(i-o-etsf.o): In function `deallocate_local':
/mnt/d/WUBUNTU/APPS/bigdft-1.7.7/src/wavelib/i-o-etsf.f90:705: undefined
reference to `deallocate_bounds_'
collect2: error: ld returned 1 exit status

actually there is a deallocate_bounds routine in the locregs module but it
is commented out fully. Can I decomment it with no harm ?

On Tue, Nov 8, 2016 at 9:58 AM, Luigi Genovese <
<email address hidden>> wrote:

> Your question #403866 on BigDFT changed:
> https://answers.launchpad.net/bigdft/+question/403866
>
> Status: Open => Answered
>
> Luigi Genovese proposed the following answer:
> THe operator .to. comes from use association of the "dynamic_memory"
> module.
> Try by putting the line
>
> use dynamic_memory
>
> where appropriate.
> Another possiblity is to switch off etsf support in the configure line.
>
> I advise you to rather post here the problem you may have with version 1.8.
> Older version are no longer maintained and new features are developing.
>
> Many thanks
>
> Luigi
>
> --
> If this answers your question, please go to the following page to let us
> know that it is solved:
> https://answers.launchpad.net/bigdft/+question/403866/+confirm?answer_id=2
>
> If you still need help, you can reply to this email or go to the
> following page to enter your feedback:
> https://answers.launchpad.net/bigdft/+question/403866
>
> You received this question notification because you asked the question.
>

--
Sylvian (gmail: <email address hidden>)

There is no other place where deallocate_bouns is defined. Only in locregs where is commented out. On the other hand there is a call to deallocate_bouns in other place in the program and it is commented out. So I will try to comment it out also in i-o-etsf.