[Octopus-users] suzuki_trotter

[Myrta Gruning]

Dear all,

I was trying to run td evolution with the suzuki trotter method 
(TDEvolutionMethod = suzuki_trotter
TDExponentialMethod = suzuki_trotter
in the inp file)

and I got as message:

**************************** FATAL ERROR *****************************
*** Fatal Error (description follows)
*--------------------------------------------------------------------
* You cannnot use the split operator evolution method, or the
* Suzuki-Trotter, if the code was compiled without FFTW support.
**********************************************************************

However I do enable the fftw support when configuring and from the
config.log I can see the libraries were found and the conftest
successful  

Grepping the source (3.0.1) I found indeed in src/td/td_rti.F90
(L259-262, subroutine td_rti_init)
=========
if(tr%method .eq. SPLIT_OPERATOR .or. tr%method .eq. SUZUKI_TROTTER)
then
      message(1) = "You cannnot use the split operator evolution method,
or the"
      message(2) = "Suzuki-Trotter, if the code was compiled without
FFTW support."
      call write_fatal(2)
    end if
=========

However it does not seem to be included in any #ifdef compiler option 
and for what I can see the program will always return this error message
regardless of the fftw support.

Is there any particular reason to disable these options or can I
"safely" comment out those lines and run with Suzuki Trotter?

Thank you in advance,

m



-- 

___________________________________
dr. Gruning Myrta
Université catholique de Louvain
SE/FSA/MAPR/PCPM
Croix du Sud,1
1348 Louvain-la-Neuve

e-mail: myrta.gruning at uclouvain.be
phone1:  +32 (0)10 478721
phone2:  +32 (0)10 478681 
fax:    +32 (0)10 473452
URL:    http://www.myrta.eu/
___________________________________