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ADDA > first calculation

Last updated at Posted at 2016-11-23
My_Environment
Ubuntu 14.04 LTS Japanese Remix
on VMWare Fusion v8.5.2 (4635224)
on OS X El Captian v10.11.4

GNU bash, version 4.3.11(1)-release

gcc (Ubuntu 4.8.4-2ubuntu1~14.04.3) 4.8.4 
(also for g++)
ADDA v.1.3b6

This article is related to ADDA (light scattering simulator based on the discrete dipole approximation).

I tried the first calculation using ADDA.

$ pwd
/home/yasokada/ADDA/WORK_161123/adda/src/seq
$ ./adda
all data is saved in 'run000_sphere_g16_m1.5'
box dimensions: 16x16x16
lambda: 6.283185307   Dipoles/lambda: 15
Required relative residual norm: 1e-05
Total number of occupied dipoles: 2176
Memory usage for MatVec matrices: 1.3 MB
Calculating Green's function (Dmatrix)
Fourier transform of Dmatrix......
Initializing FFTW3
Total memory usage: 2.2 MB

here we go, calc Y

CoupleConstant:0.005259037197+1.843854148e-05i
x_0 = 0
RE_000 = 1.0000000000E+00
RE_001 = 8.4752662637E-01  + 
RE_002 = 8.2113292044E-01  + 
RE_003 = 4.2639057157E-01  + 
RE_004 = 3.0639031825E-01  + 
RE_005 = 2.2448283848E-01  + 
RE_006 = 2.2740255145E-01  - 
RE_007 = 1.5952149116E-01  + 
RE_008 = 6.1602401377E-02  + 
RE_009 = 3.5443250606E-02  + 
RE_010 = 2.9898244021E-02  + 
RE_011 = 2.4111231314E-02  + 
RE_012 = 3.8307716448E-03  + 
RE_013 = 3.0434605435E-03  + 
RE_014 = 1.3101400496E-03  + 
RE_015 = 8.2588870145E-04  + 
RE_016 = 5.0452779525E-04  + 
RE_017 = 1.1339752034E-04  + 
RE_018 = 9.3640511756E-05  + 
RE_019 = 6.8748762964E-05  + 
RE_020 = 2.2385460753E-05  + 
RE_021 = 1.5168238488E-05  + 
RE_022 = 3.1668363235E-06  + 
Cext	= 135.0449052
Qext	= 3.791149625
Cabs	= -2.047466084e-16
Qabs	= -5.74790309e-18

Then I found the folder named run000_sphere_g16_m1.5, which includes followings

  • CrossSec-Y
  • log
  • mueller

In the execution log, we can find RE_XX as shown above.
This is the relative residual norm for each iteration as written in Tutorial:

It is followed by the progress report of the iterative solver, which shows the relative residual norm for each iteration.

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