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[abinit-forum] A problem of DP installation


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  • From: <wshen02@gmail.com>
  • To: forum@abinit.org
  • Subject: [abinit-forum] A problem of DP installation
  • Date: Mon, 6 Apr 2009 23:54:00 +0200 (CEST)

I tried to directly use Abinit to calculate the frequency dependent
dielectric
function of graphite and graphene but it provided no result for the range
0eV-10eV and right now I am trying to install the DP(Dielectric Properties) to
calculate that.
I followed the steps from the DP installation instruction but it always give
the errors when I want to install it. My compiler is gcc and gfortran and my
errors are like following
make[1]: Entering directory `/home/wenshen/Desktop/dp-4.6.2/src'
if test -z -lnetcdf ; then \
gfortran -c -o ioetsf.o -O3 -ffree-form ioetsfph.f90 ; \
else \
gfortran -c -O3 -ffree-form -I/usr/local/include ioetsf.f90 ; \
fi ;
In file ioetsf.f90:148

_spin
1
Error: Expected another dimension in array declaration at (1)
In file ioetsf.f90:60

gw_corrections,kb_formfactor_sign,kb_formfactors,kb_formfactor_derivative)
1
Error: Symbol 'gw_corrections' at (1) has no IMPLICIT type
make[1]: *** [ioetsf.o] Error 1
make[1]: Leaving directory `/home/wenshen/Desktop/dp-4.6.2/src'
make: *** [all] Error 2

this is the installation error for dp-4.6.2
and for dp-4.5.3 there is also the error
gfortran -O3 -ffree-form -c ifftw.F
Error: Can't open included file '/usr/local/include/fftw3.f'
In file ifftw.F:52

call dfftw_plan_dft_3d(plan,nl,nm,nn,b,b,FFTW_FORWARD,FFTW_MEASURE)
1
Error: Symbol 'fftw_forward' at (1) has no IMPLICIT type
In file ifftw.F:50

call dfftw_plan_dft_3d(plan,nl,nm,nn,b,b,FFTW_BACKWARD,FFTW_MEASURE)
1
Error: Symbol 'fftw_backward' at (1) has no IMPLICIT type
In file ifftw.F:50

call dfftw_plan_dft_3d(plan,nl,nm,nn,b,b,FFTW_BACKWARD,FFTW_MEASURE)
1
Error: Symbol 'fftw_measure' at (1) has no IMPLICIT type
make: *** [ifftw.a(ifftw.o)] Error 1
for dp-4.5.3 I thought the problem was about the fftw3.f but I checked that my
fftw3.f is under the right directory and I can open it easily.




Besides, any suggestion about the graphite and graphene dielectric function
calculation under Abinit is welcomed!


  • [abinit-forum] A problem of DP installation, wshen02, 04/06/2009

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