計算物理学 Rubin H. Landau 参考文献・docker登録
https://qiita.com/kaizen_nagoya/items/af924f5ac71ff5cc8c89

<この項は書きかけです。順次追記します。>

docker/ubuntu

# cd /home/cp/HCPcode
# gfortran tune.f90 -o tune
tune.f90:2:4:

     by RH Landau, MJ Paez, and CC Bordeianu
    1
Error: Unclassifiable statement at (1)
tune.f90:3:4:

     Copyright Wiley-VCH Verlag GmbH & Co. KGaA, Berlin;  Copyright R Landau,
    1
Error: Unclassifiable statement at (1)
tune.f90:3:57:

     Copyright Wiley-VCH Verlag GmbH & Co. KGaA, Berlin;  Copyright R Landau,
                                                         1
Error: Unclassifiable statement at (1)
tune.f90:4:4:

     Oregon State Unv, MJ Paez, Univ Antioquia, C Bordeianu, Univ Bucharest, 2015.
    1
Error: Unclassifiable statement at (1)
tune.f90:5:4:

     Support by National Science Foundation
    1
Error: Unclassifiable statement at (1)
tune.f90:61:6:

   Stop
      1
Error: Blank required in STOP statement near (1)

commentと見なされなかったらしい。
エラーが出た行を!でコメントに

tune.f90

!   From "COMPUTATIONAL PHYSICS", 3rd Ed, Enlarged Python eTextBook  
!    by RH Landau, MJ Paez, and CC Bordeianu
!    Copyright Wiley-VCH Verlag GmbH & Co. KGaA, Berlin;  Copyright R Landau,
!    Oregon State Unv, MJ Paez, Univ Antioquia, C Bordeianu, Univ Bucharest, 2015.
!    Support by National Science Foundation
!			
! 	 tune.f90: matrix algebra program to be tuned for performance			

Program	 tune		

  parameter (ldim = 2050)		
	Implicit Double precision (a - h, o - z)		
	dimension ham(ldim, ldim), coef(ldim), sigma(ldim)		
                                       ! set up H and starting vector
	Do i = 1, ldim	 
	  Do j = 1, ldim		
		  If ( abs(j - i)  >  10) then		
			  ham(j, i) = 0.		
			else	 
			  ham(j, i) = 0.3**Abs(j - i)		
			EndIf		
	  End Do
		ham(i, i) = i		
		coef(i) = 0.	 
	End Do	 
	coef(1) = 1.		
                                                    ! start iterating
	err = 1.		
	iter = 0	 
 20		If (iter< 15 .and. err >1.e-6) then	 
	iter = iter + 1	
                                 ! compute current energy & normalize
	ener = 0.	 
	ovlp = 0.	 
	Do		i = 1, ldim	 
	  ovlp = ovlp + coef(i)*coef(i)	 
		sigma(i) = 0.		
		Do		 j = 1, ldim		
		  sigma(i) = sigma(i) + coef(j)*ham(j, i)	 
		End Do		
		ener = ener + coef(i)*sigma(i)
	End Do 
	ener = ener/ovlp	 
	Do		I = 1, ldim	 
    coef(i) = coef(i)/Sqrt(ovlp)		
		sigma(i) = sigma(i)/Sqrt(ovlp)		
	End Do	 
                                      ! compute update and error norm
	err = 0.		
	Do	i = 1, ldim	 
	  If (i == 1) goto 22	 
		step = (sigma(i) - ener*coef(i))/(ener - ham(i, i))		
		coef(i) = coef(i) + step		
		err = err + step**2	
 22 Continue
 23 End Do
   err = sqrt(err)	 
     write(*, '(1x, i2, 7f10.5)') iter, ener, err, coef(1)	 
	   goto 20		 
    Endif		
!  Stop	 
End Program tune

コンパイル＆go

docker/ubuntu

# gfortran tune.f90
# ./a.out
  1   1.00000   0.30350   1.00000
  2   0.92179   0.05728   0.95690
  3   0.91720   0.01562   0.96664
  4   0.91691   0.00402   0.96348
  5   0.91688   0.00116   0.96414
  6   0.91688   0.00031   0.96391
  7   0.91688   0.00009   0.96397
  8   0.91688   0.00002   0.96395
  9   0.91688   0.00001   0.96395
 10   0.91688   0.00000   0.96395
 11   0.91688   0.00000   0.96395

Reference

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＜この記事は個人の過去の経験に基づく個人の感想です。現在所属する組織、業務とは関係がありません。＞
This article is an individual impression based on the individual's experience. It has nothing to do with the organization or business to which I currently belong.

文書履歴(document history)

ver. 0.01 初稿 20190807

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