The ABINIT Users Mailing List ( CLOSED )

[ilukacevic@fizika.unios.hr]

Dear prof. Gonze,

I have done changes to the anaddb.F90. But during make anaddb command, it
stops with the message

make[1]: Entering directory `/home/igor/test/abinit-5.8.4/src/51_manage_mpi'
gfortran -DHAVE_CONFIG_H -I. -I../.. -I../../src/12_hide_mpi
-I../../src/12_hide_mpi -I../../src/16_hideleave -I../../src/16_hideleave
-I../../src/10_defs -I../../src/10_defs -I../../src/14_hidewrite
-I../../src/14_hidewrite -I../../src/50_abitypes_defs
-I../../src/50_abitypes_defs -I../../src/18_timing -I../../src/18_timing  
-O2 -march=pentium4 -mmmx -msse -msse2 -g  -ffree-line-length-none -c -o
clnmpi_band.o clnmpi_band.F90
clnmpi_band.F90:39.18:

 use defs_abitypes
                  1
Fatal Error: Can't open module file 'defs_abitypes.mod' for reading at
(1): No such file or directory
make[1]: *** [clnmpi_band.o] Error 1
make[1]: Leaving directory `/home/igor/test/abinit-5.8.4/src/51_manage_mpi'
make: *** [anaddb] Error 2
igor@igor-desktop:~/test/abinit-5.8.4$



This is quite strange, for I compiled abinit without problems before. Do
You maybe have a clue why this happens?

Best wishes,

Igor

> Dear Igor,
>
> On 04 Jan 2010, at 13:11, ilukacevic@fizika.unios.hr wrote:
>
>> Dear prof. Gonze,
>>
>> thank You for Your suggestion. Anaddb works with it.
>>
>> If You don't mind, could You give me a deeper explanation why this
>> happens? Is
>> it a thing with a mrgddb code, which could be changed within it?
>>
> anaddb was rather restrictive.
> Actually, I just improved it. Could you try whether it works with the
> modification below
> using your non-modified DDB  ?
>
> Best wishes,
> X.
>
> ----------------------------------------------------------------
> Modifications for src/98_main/anaddb.F90
>
> (1) Declare
> real(dp) :: factor
>
> (2) Insert around line 282 (between the call to rdddb9 and the call to
> mkrdim) :
>
>   if(anaddb_dtset%brav/=1)then
> !  Renormalize rprim to possibly satisfy the constraint
> abs(rprim(1,2))=half when brav/=1
>     if(abs(rprim(1,2))<tol6)then
>       write(message, '(4a,i6,7a)' )ch10,&
> &     ' anaddb : ERROR -',ch10,&
> &     '  The input DDB value of brav is',anaddb_dtset%brav,',',ch10,&
> &     '  and the one of rprim(1,2) is zero.',ch10,&
> &     '  These are incompatible',ch10,&
> &     '  Action : check the value of brav and rprim(1,2) in your DDB.'
>       call wrtout(std_out,message,'COLL')
>       call leave_new('COLL')
>     endif
>     factor=abs(rprim(1,2))*two
>     acell(:)=acell(:)*factor
>     rprim(:,:)=rprim(:,:)/factor
>   endif
>
>
> Recompile, and test ...
>
>
>
>> Thank You!
>>
>> Igor Lukacevic
>
>