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SEGMENTATION_FAULT IN STRESS_AUTO_CORRELATION_CODE

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lehloks

Programmer
Jul 12, 2013
40
ZA

Hi Forum users

I have a velocity autocorrelation code which was made to read a three component velocity vectors and I have modified to read a 9 component stress tensor data. I can compile it successfully but when I try to run it and compute a stress correlation function I get an error: i.e. segmentation fault. I have also included the type of data formate the code was initially meant to correlate.


Thanks in advance for the help.

[C PROGRAM TCORR

COMMON / BLOCK1 / STORA, STORB, STORC, STORD,STORE,STORF,STORG,
& STORH, STORI
C COMMON / BLOCK2/STORB
COMMON / BLOCK2 / PA, PB, PC, PD, PE, PF, PG, PH , PI
c COMMON / BLOCK4/ VB
COMMON / BLOCK3 / PACF, ANORM

C *******************************************************************
C ** CALCULATION OF TIME CORRELATION FUNCTIONS. **
C ** **
C ** THIS PROGRAM ANALYZES DATA TO CALCULATE A TIME CORRELATION **
C ** FUNCTION IN ONE SWEEP (LOW MEMORY REQUIREMENT). IN THIS **
C ** EXAMPLE THE VELOCITY AUTO-CORRELATION FUNCTION IS CALCULATED. **
C ** **
C ** PRINCIPAL VARIABLES: **
C ** **
C ** INTEGER N NUMBER OF ATOMS
C ** INTEGER NSTEP NUMBER OF STEPS ON THE TAPE
C ** INTEGER IOR INTERVAL FOR TIME ORIGINS
C ** INTEGER NT CORRELATION LENGTH, INCLUDING T=0
C ** INTEGER NTIMOR NUMBER OF TIME ORIGINS
C ** INTEGER NLABEL LABEL FOR STEP (1,2,3...NSTEP)
C ** REAL VX(N),VY(N),VZ(N) VELOCITIES
C ** REAL VACF(NT) THE CORRELATION FUNCTION
C ** NSTEP AND NT SHOULD BE MULTIPLES OF IOR.
C ** REAL PA,PB,PC = Pxx,Pxy,Pxz STRESSES
C ** REAL PD,PE,PF = Pyx,Pyy,Pyz STRESSES
C ** REAL PG,PH,PI = Pzx,Pzy,Pzz STRESSES
C ** ROUTINES REFERENCED:
C ** **
C ** SUBROUTINE STORE (J1)
C ROUTINE TO STORE THE DATA FOR CORRELATION **
C SUBROUTINE CORR ( J1, J2, IT )
C ROUTINE TO CORRELATE THE STORED TIME ORIGINS **
C USAGE: **
C ** **
C DATA IN FILE DFILE ON FORTRAN UNIT DUNIT. **
C RESULTS IN FILE RFILE ON FORTRAN UNIT RUNIT. **
C *******************************************************************

INTEGER N, NSTEP, IOR, NT, NDIM, DUNIT, RUNIT, NTIMOR
INTEGER FULLUP
PARAMETER ( N = 2377, NSTEP = 8, IOR = 2, NT = 8 )
PARAMETER ( DUNIT = 10, RUNIT = 11 )
PARAMETER ( NDIM = NT / IOR + 1, NTIMOR = NSTEP / IOR )
PARAMETER ( FULLUP = NDIM - 1 )

REAL PA(N), PB(N), PC(N), PD(N), PE(N), PF(N), PG(N), PH(N), PI(N)
REAL STORA(NDIM,N), STORB(NDIM,N), STORC(NDIM,N),STORD(NDIM,N),
& STORE(NDIM,N),STORF(NDIM,N),STORG(NDIM,N),STORH(NDIM,N),
& STORI(NDIM,N)
REAL PACF(NT), ANORM(NT)
INTEGER S(NTIMOR), TM(NTIMOR)
INTEGER TS, TSS, L, NINCOR, K, R, JA, IB, IN, IA, JO, I
INTEGER NLABEL
CHARACTER DUMMY * 5
CHARACTER DFILE * 30
CHARACTER RFILE * 30

C *******************************************************************

WRITE(*,'('' **** PROGRAM TCORR **** '')')
WRITE(*,'('' CALCULATION OF TIME CORRELATION FUNCTIONS '')')

C ** READ IN FILE NAMES **

WRITE(*,'('' ENTER DATA FILE NAME '')')
READ (*,'(A)') DFILE
WRITE (*,'('' ENTER RESULTS FILE NAME '')')
READ (*,'(A)') RFILE

C ** INITIALIZE COUNTERS **

NINCOR = FULLUP
JA = 1
IA = 1
IB = 1

C ** ZERO ARRAYS **

DO 5 I = 1, NT

PACF(I) = 0.0
ANORM(I) = 0.0
write(*,*) PACF(I)
5 CONTINUE


C ** OPEN DATA FILE AND RESULTS FILE **

OPEN ( UNIT = 13, FILE = DFILE, STATUS = 'OLD',
: FORM = 'FORMATTED')

OPEN ( UNIT = RUNIT, FILE = RFILE, STATUS = 'NEW' )

C ** CALCULATION BEGINS **

DO 40 L = 1, NTIMOR

JA = JA + 1
S(L) = JA - 1

READ (13, '(A5,I4)') DUMMY, NLABEL
DO 7 R = 1, N
c READ (DUNIT,'(1X,F17.14,8(13X,F17.14))')PA(R),PB(R),PC(R),PD(R),
c & PE(R),PF(R),PG(R),PH(R),PI(R)

READ(13,'(E13.6,8(2X,E13.6))')PA(R),PB(R),PC(R),PD(R),
& PE(R),PF(R),PG(R),PH(R),PI(R)
7 CONTINUE

TM(L) = NLABEL
write(*,*) TM(L)

C ** STORE STEP AS A TIME ORIGIN **
CALL STOREE ( JA )

C ** CORRELATE THE ORIGINS IN STORE **

DO 10 IN = IA, L

TSS = TM(L) - TM(IN)
TS = TSS + 1
JO = S(IN) + 1
CALL CORR ( JO, JA, TS )

10 CONTINUE

C ** READ IN DATA BETWEEN TIME ORIGINS. THIS CAN **
C ** BE CONVENIENTLY STORED IN ELEMENT 1 OF THE **
C ** ARRAYS STORX ETC. AND CAN THEN BEN CORRELATED **
C ** WITH THE TIME ORIGINS. **

DO 30 K = 1, IOR - 1

READ (13, '(A5,I4)') DUMMY, NLABEL
DO 15 R = 1, N
c READ (DUNIT,'(1X,F17.14,8(13X,F17.14))')PA(R),PB(R),PC(R),PD(R),
c & PE(R),PF(R),PG(R),PH(R),PI(R)
READ(13,'(E13.6,8(2X,E13.6))')PA(R),PB(R),PC(R),PD(R),
& PE(R),PF(R),PG(R),PH(R),PI(R)

15 CONTINUE

CALL STOREE ( 1 )

DO 20 IN = IA, L

TSS = NLABEL - TM(IN)
TS = TSS + 1
JO = S(IN) + 1
CALL CORR ( JO, 1, TS )

20 CONTINUE

30 CONTINUE

IF ( L .GE. FULLUP ) THEN

IF ( L .EQ. NINCOR ) THEN

NINCOR = NINCOR + FULLUP
JA = 1

ENDIF

IA = IA + 1

ENDIF

40 CONTINUE

CLOSE ( DUNIT )

C ** NORMALISE CORRELATION FUNCTIONS **

PACF(1) = PACF(1) / ANORM(1) / REAL ( N )

DO 50 I = 2, NT

PACF(I) = PACF(I) / ANORM(I) / REAL ( N ) / PACF(1)

50 CONTINUE

WRITE ( RUNIT, '('' VELOCITY ACF '')')
WRITE ( RUNIT, '(I6,E15.6)') ( I, PACF(I), I = 1, NT )

CLOSE ( RUNIT )

STOP
END



SUBROUTINE STOREE ( J1 )

c COMMON/ BLOCK1 / STORX, STORY, STORZ, STORA, STORB
COMMON / BLOCK1 / STORA, STORB, STORC, STORD,STORE,STORF,STORG,
& STORH,STORI
c COMMON/BLOCK2/STORB
COMMON/ BLOCK2 / PA, PB, PC, PD, PE, PF, PG, PH, PI

C *******************************************************************
C ** SUBROUTINE TO STORE TIME ORIGINS **
C *******************************************************************

INTEGER J1
INTEGER N, NT, IOR, NDIM
PARAMETER ( N = 2377, NT = 8, IOR =8 )
PARAMETER ( NDIM = NT / IOR + 1 )

REAL STORA(NDIM,N), STORB(NDIM,N), STORC(NDIM,N),STORD(NDIM,N),
& STORE(NDIM,N),STORF(NDIM,N),STORG(NDIM,N),STORH(NDIM,N),
& STORI(NDIM,N)
REAL PA(N), PB(N), PC(N), PD(N), PE(N), PF(N),PG(N), PH(N), PI(N)
INTEGER I


DO 10 I = 1, N

STORA(J1,I) = PA(I)
STORB(J1,I) = PB(I)
STORC(J1,I) = PC(I)
STORD(J1,I) = PD(I)
STORE(J1,I) = PE(I)
STORF(J1,I) = PF(I)
STORG(J1,I) = PG(I)
STORH(J1,I) = PH(I)
STORI(J1,I) = PI(I)
10 CONTINUE

RETURN
END



SUBROUTINE CORR ( J1, J2, IT )

COMMON / BLOCK1 / STORA, STORB, STORC, STORD,STORE,STORF,STORG,
& STORH,STORI
c COMMON/ BLOCK1 / STORX, STORY, STORZ,STORA
COMMON/ BLOCK3 / PACF, ANORM

C *******************************************************************
C ** SUBROUTINE TO CORRELATE TIME ORIGINS **
C *******************************************************************

INTEGER J1, J2, IT
INTEGER N, NT, IOR, NDIM
PARAMETER ( N = 2377, NT = 8, IOR = 8 )
PARAMETER ( NDIM = NT / IOR + 1 )

REAL STORA(NDIM,N), STORB(NDIM,N), STORC(NDIM,N),STORD(NDIM,N),
& STORE(NDIM,N),STORF(NDIM,N),STORG(NDIM,N),STORH(NDIM,N),
& STORI(NDIM,N)

c REAL STORX(NDIM,N), STORY(NDIM,N), STORZ(NDIM,N),STORA(NDIM,N),
c & STORB(NDIM,N)
REAL PACF(NT), ANORM(NT)
INTEGER I

C ********************************************************************

DO 10 I = 1, N

PACF(IT) = PACF(IT) + STORA(J1,I) * STORA(J2,I)
: + STORB(J1,I) * STORB(J2,I)
: + STORC(J1,I) * STORC(J2,I)
: + STORD(J1,I) * STORD(J2,I)
: + STORE(J1,I) * STORE(J2,I)
: + STORF(J1,I) * STORF(J2,I)
: + STORG(J1,I) * STORG(J2,I)
: + STORH(J1,I) * STORH(J2,I)
: + STORI(J1,I) * STORI(J2,I)
10 CONTINUE

ANORM(IT) = ANORM(IT) + 1.0

RETURN
END


c WRITE (*,*) 'Heat correlation function generated.'
c WRITE(*,*) jijj
c volume = boxx*boxy*boxz
c lambda = 1.6022D6*jijj*tstep/3.0D0/kb/volume/temp/temp ! W/m-K
c jjlambda = 1.6022D6*jjtotal*tstep/3.0D0/kb/volume/temp/temp
c WRITE(*,*) 'thermal conductivity', lambda
c OPEN (UNIT=11,FILE=flambda,STATUS='unknown')
c WRITE(11,*) 'temperature =', temp, 'K'
c WRITE(11,*) 'thermal conductivity =', lambda, 'W/m-K'
c WRITE(11,*) 'K(w) =', jjlambda, 'W/m-K'
c WRITE(11,*) 'Alpha =', alpha
c DO i=1, mavg
c WRITE (11, *) i, Stresscorr(i)
c ENDDO

]



Data to be correlated:

[-9.568336E+00 -1.615161E+00 1.042644E+00 -1.615161E+00 -1.131916E+01 -6.979813E-01 1.042644E+00 -6.979813E-01 -1.182917E+01
-4.765572E-01 9.005122E-01 -2.282920E+00 9.005122E-01 -3.827857E+00 -3.206736E+00 -2.282920E+00 -3.206736E+00 -6.252462E+00
-1.012710E+01 4.672368E-01 8.791873E-02 4.672368E-01 -4.680832E+00 -5.271814E-01 8.791873E-02 -5.271814E-01 -1.898345E-01
-7.699012E+00 -9.906154E-01 7.450304E-01 -9.906154E-01 -1.061230E+00 -3.546956E+00 7.450304E-01 -3.546956E+00 -6.843898E+00
-3.544260E+00 4.254020E+00 -1.963602E+00 4.254020E+00 3.740858E+00 -4.587760E+00 -1.963602E+00 -4.587760E+00 -6.776258E+00
1.755595E-01 -9.625855E-01 -2.395960E+00 -9.625855E-01 -1.701399E+00 -8.483695E-01 -2.395960E+00 -8.483695E-01 -4.165223E+00
-3.244186E+00 5.540608E+00 -4.951768E-01 5.540608E+00 3.068601E+00 -1.613010E-01 -4.951768E-01 -1.613010E-01 -5.641277E+00
-8.985849E+00 1.870244E+00 -2.295795E-01 1.870244E+00 -4.635924E+00 -4.787461E+00 -2.295795E-01 -4.787461E+00 -3.014272E+00
-1.651073E-01 -6.326584E-01 -3.028051E+00 -6.326584E-01 -2.621833E+00 -2.640439E+00 -3.028051E+00 -2.640439E+00 1.668877E+00
1.250349E+00 3.054784E+00 -2.898975E+00 3.054784E+00 8.419503E-01 9.620184E-01 -2.898975E+00 9.620184E-01 1.479256E+00
-7.796195E-01 1.942983E+00 -2.736569E+00 1.942983E+00 6.073043E+00 -2.520281E+00 -2.736569E+00 -2.520281E+00 -9.600832E-01
4.697066E-01 3.138124E+00 -1.092573E+00 3.138124E+00 -2.099285E+00 -1.581031E+00 -1.092573E+00 -1.581031E+00 -6.285002E-01
3.017532E-01 -9.701574E-02 1.611936E+00 -9.701574E-02 -1.762075E+00 -3.401961E+00 1.611936E+00 -3.401961E+00 -6.889746E-01
1.177410E-01 5.090611E-01 1.452691E-01 5.090611E-01 5.695570E+00 -3.573245E+00 1.452691E-01 -3.573245E+00 -1.099615E+00
-5.180126E+00 -1.876409E-01 -2.067182E+00 -1.876409E-01 1.611177E+00 5.458450E-01 -2.067182E+00 5.458450E-01 1.026071E+00
1.477567E+00 1.598949E+00 -1.577546E+00 1.598949E+00 3.933810E+00 -2.698132E+00 -1.577546E+00 -2.698132E+00 3.485029E+00
-2.533324E+00 1.753033E+00 1.425241E-01 1.753033E+00 2.406501E+00 -1.147217E+00 1.425241E-01 -1.147217E+00 3.065603E-01
-2.360274E+00 1.312721E+00 -3.711419E-01 1.312721E+00 2.556935E+00 3.152605E-01 -3.711419E-01 3.152605E-01 3.378170E+00
-1.698217E+00 1.105760E+00 3.780822E-01 1.105760E+00 2.736574E+00 7.920578E-01 3.780822E-01 7.920578E-01 -6.596856E-01
-5.099544E+00 1.647542E-01 -1.036544E+00 1.647542E-01 3.845429E+00 -1.034068E+00 -1.036544E+00 -1.034068E+00 -3.152053E+00
-2.686567E+00 1.335786E+00 -1.889911E-01 1.335786E+00 9.755267E-01 9.322043E-01 -1.889911E-01 9.322043E-01 3.229615E-01
1.542994E-01 3.104663E+00 -1.634353E-01 3.104663E+00 4.090105E+00 -1.128244E+00 -1.634353E-01 -1.128244E+00 -2.909383E-01
-4.235419E-01 1.554157E+00 3.475430E+00 1.554157E+00 4.701173E+00 -1.789414E+00 3.475430E+00 -1.789414E+00 1.517218E+00
-8.054924E-01 -1.167935E+00 -1.123460E+00 -1.167935E+00 1.169303E+00 -2.171076E+00 -1.123460E+00 -2.171076E+00 -5.636150E+00
-1.617491E+00 4.003700E+00 1.378316E+00 4.003700E+00 -1.665934E+00 1.498592E-01 1.378316E+00 1.498592E-01 -1.206797E+00
5.260921E-01 1.651686E+00 -2.646774E-01 1.651686E+00 -1.762373E-01 -9.632670E-02 -2.646774E-01 -9.632670E-02 1.977057E+00
9.813598E-01 1.625447E+00 2.023088E+00 1.625447E+00 2.490276E+00 -2.670705E-01 2.023088E+00 -2.670705E-01 -1.870441E+00
-5.655597E+00 1.939740E+00 2.297268E+00 1.939740E+00 -8.480003E-02 -3.918615E+00 2.297268E+00 -3.918615E+00 -3.121072E+00
-7.801742E-01 1.287923E+00 -4.939918E-01 1.287923E+00 -2.809879E-02 -2.932175E+00 -4.939918E-01 -2.932175E+00 -4.770079E+00
2.002557E-01 8.336137E-01 -1.590110E-01 8.336137E-01 2.130667E+00 5.596286E-01 -1.590110E-01 5.596286E-01 -1.750873E-01
-3.372541E+00 4.301007E-01 1.537803E+00 4.301007E-01 5.802335E+00 -1.827391E+00 1.537803E+00 -1.827391E+00 -1.537462E+00
-4.435659E+00 2.030894E+00 1.370509E+00 2.030894E+00 1.393425E-01 -1.055499E+00 1.370509E+00 -1.055499E+00 1.771206E+00
2.098158E+00 2.583661E+00 8.791438E-01 2.583661E+00 9.032831E-01 -2.215565E+00 8.791438E-01 -2.215565E+00 2.043297E+00
-1.698410E+00 4.167409E+00 2.647075E-01 4.167409E+00 4.222395E+00 -3.055763E+00 2.647075E-01 -3.055763E+00 -1.391421E+00
-8.409078E-01 -4.928208E-01 1.081605E+00 -4.928208E-01 3.172158E+00 -9.652794E-01 1.081605E+00 -9.652794E-01 5.858850E+00
1.772945E+00 1.884536E+00 -1.227665E-02 1.884536E+00 4.133279E+00 -1.560894E+00 -1.227665E-02 -1.560894E+00 -2.180136E+00
1.374663E+00 -2.563897E-01 -3.531044E-01 -2.563897E-01 9.444892E-01 -1.131695E+00 -3.531044E-01 -1.131695E+00 8.410043E-02
-1.628314E+00 -2.282178E+00 -7.082837E-02 -2.282178E+00 4.717011E+00 -3.167291E+00 -7.082837E-02 -3.167291E+00 1.405460E-01
3.256577E+00 8.701485E-02 -3.349064E-01 8.701485E-02 2.750965E+00 -4.284773E+00 -3.349064E-01 -4.284773E+00 3.778049E+00
-2.295949E+00 3.331942E+00 1.116254E+00 3.331942E+00 3.989839E+00 -1.459957E+00 1.116254E+00 -1.459957E+00 4.521983E-02
-1.151068E+00 -7.641443E-01 -4.241038E-01 -7.641443E-01 4.304514E+00 -1.267603E+00 -4.241038E-01 -1.267603E+00 8.671564E-01
-4.160283E+00 -1.259369E+00 1.650666E+00 -1.259369E+00 3.044282E+00 -2.418003E+00 1.650666E+00 -2.418003E+00 -2.627127E+00
-1.179937E+00 2.183129E+00 -1.119143E+00 2.183129E+00 5.206284E+00 -2.993333E+00 -1.119143E+00 -2.993333E+00 -3.183130E+00
-2.359512E+00 2.115881E+00 -1.301282E+00 2.115881E+00 3.847385E+00 -2.485009E+00 -1.301282E+00 -2.485009E+00 -9.906069E-01
-2.942584E+00 -5.313706E-01 1.851732E+00 -5.313706E-01 2.745075E+00 -1.914543E+00 1.851732E+00 -1.914543E+00 -1.403970E+00
-2.509056E+00 5.086551E+00 1.357141E+00 5.086551E+00 9.473148E-01 3.850056E-01 1.357141E+00 3.850056E-01 -1.579436E+00
1.198187E+00 3.245621E+00 -2.229760E-01 3.245621E+00 3.240415E+00 -7.487642E-01 -2.229760E-01 -7.487642E-01 -2.924478E+00
-1.763899E+00 2.164231E+00 -2.238102E-01 2.164231E+00 -1.612804E-02 -3.096042E+00 -2.238102E-01 -3.096042E+00 -1.820712E-01
-3.938288E+00 3.098645E+00 3.011002E-01 3.098645E+00 -2.056060E-01 -1.559567E+00 3.011002E-01 -1.559567E+00 -5.216910E+00
1.881795E+00 2.064431E+00 -1.351383E+00 2.064431E+00 -6.196107E-01 3.174056E-01 -1.351383E+00 3.174056E-01 -4.749969E+00
7.554922E-01 -4.930462E-01 -4.422200E-01 -4.930462E-01 3.097861E+00 -1.423850E+00 -4.422200E-01 -1.423850E+00 1.193429E+00
4.097399E+00 3.325380E+00 2.185304E+00 3.325380E+00 5.476314E+00 -3.174047E+00 2.185304E+00 -3.174047E+00 4.524541E-01
4.713058E+00 2.001507E+00 -5.754228E-02 2.001507E+00 2.435407E+00 -3.021226E+00 -5.754228E-02 -3.021226E+00 -2.799014E+00
-1.387675E+00 2.667730E+00 -2.474171E+00 2.667730E+00 2.841834E-01 -2.263969E+00 -2.474171E+00 -2.263969E+00 -1.028611E+00
-3.922209E+00 1.807460E+00 1.554053E+00 1.807460E+00 -3.018901E-01 -6.290610E-03 1.554053E+00 -6.290610E-03 -3.248800E+00
-1.275801E+00 2.586185E+00 -8.895243E-01 2.586185E+00 8.289141E-01 1.440164E-01 -8.895243E-01 1.440164E-01 -1.631305E+00
-1.328747E+00 6.960144E-01 5.915400E-01 6.960144E-01 -3.436989E-01 -1.944991E+00 5.915400E-01 -1.944991E+00 -4.877576E+00
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2.841497E+00 4.640975E-01 -1.263314E+00 4.640975E-01 2.727821E+00 -7.524355E-01 -1.263314E+00 -7.524355E-01 1.042963E+00
1.287848E+00 3.346155E+00 -2.853682E+00 3.346155E+00 -9.675049E-01 -4.913814E+00 -2.853682E+00 -4.913814E+00 -8.599796E-01
1.546504E+00 1.256570E+00 -1.260978E+00 1.256570E+00 -2.529444E+00 -2.349990E+00 -1.260978E+00 -2.349990E+00 -9.395676E-01
6.609320E-01 3.272284E+00 -6.821123E-01 3.272284E+00 3.757135E+00 -4.474573E+00 -6.821123E-01 -4.474573E+00 -3.464727E+00
-4.219434E-01 1.685964E+00 -1.848215E+00 1.685964E+00 2.635702E+00 -1.314165E+00 -1.848215E+00 -1.314165E+00 2.257555E+00
1.338534E-01 1.683113E+00 1.231229E+00 1.683113E+00 -4.728032E-01 -2.320232E+00 1.231229E+00 -2.320232E+00 -1.622430E+00
1.054395E+00 1.005759E+00 2.106485E+00 1.005759E+00 -4.454307E-01 -3.318783E+00 2.106485E+00 -3.318783E+00 -4.551546E+00
1.670814E-01 2.284533E+00 1.249868E-01 2.284533E+00 2.598877E+00 -3.613422E+00 1.249868E-01 -3.613422E+00 -2.468502E+00
-1.256188E+00 -5.642807E-01 -2.222274E+00 -5.642807E-01 6.255710E+00 -2.101424E+00 -2.222274E+00 -2.101424E+00 5.372429E-01
1.209935E+00 1.072575E+00 9.002524E-01 1.072575E+00 2.406888E+00 -2.791831E+00 9.002524E-01 -2.791831E+00 7.264842E-01
-1.855874E+00 1.126757E+00 -5.143119E-01 1.126757E+00 -1.609894E+00 -1.940330E+00 -5.143119E-01 -1.940330E+00 -3.436159E+00
9.566649E-01 1.711672E+00 -1.474319E+00 1.711672E+00 6.287543E+00 -3.847498E+00 -1.474319E+00 -3.847498E+00 -4.112173E-01
1.549008E-01 1.304522E+00 7.677907E-01 1.304522E+00 1.918674E+00 -9.108966E-01 7.677907E-01 -9.108966E-01 -3.175593E+00
1.801309E+00 1.761842E+00 -3.771920E-02 1.761842E+00 3.504825E-01 -3.837687E+00 -3.771920E-02 -3.837687E+00 -5.806374E+00
2.778793E+00 2.518559E+00 -6.250241E-01 2.518559E+00 -9.508876E-01 -1.124925E+00 -6.250241E-01 -1.124925E+00 -3.926380E+00
-3.454541E+00 9.707931E-01 1.335631E+00 9.707931E-01 1.410506E+00 -1.768679E-02 1.335631E+00 -1.768679E-02 -1.867779E+00
1.119715E+00 2.764381E+00 7.201556E-02 2.764381E+00 -1.693056E+00 -2.684843E+00 7.201556E-02 -2.684843E+00 1.181342E+00
-1.341961E+00 7.063839E-01 2.159511E-01 7.063839E-01 -2.158153E+00 -2.685445E+00 2.159511E-01 -2.685445E+00 -1.717375E+00
4.069371E+00 1.061816E+00 6.634557E-01 1.061816E+00 3.557556E+00 -1.180471E+00 6.634557E-01 -1.180471E+00 -6.000307E-01
-5.043244E-02 1.772288E+00 -6.908112E-01 1.772288E+00 2.118772E+00 -2.034454E+00 -6.908112E-01 -2.034454E+00 -2.094266E+00
1.184192E+00 2.043544E+00 -6.010647E-01 2.043544E+00 1.050570E+00 -1.355741E+00 -6.010647E-01 -1.355741E+00 -4.464482E-01
2.601805E+00 2.714491E-01 -1.360103E+00 2.714491E-01 -3.595431E-01 -2.556816E+00 -1.360103E+00 -2.556816E+00 -1.342036E+00
9.222060E-01 1.966413E+00 6.735294E-02 1.966413E+00 -9.103395E-01 -1.181256E+00 6.735294E-02 -1.181256E+00 -1.776113E+00
4.114406E-01 1.042499E+00 -8.315609E-01 1.042499E+00 -3.409681E-01 -1.331096E+00 -8.315609E-01 -1.331096E+00 -3.413981E+00
-1.398991E-01 9.183926E-01 -1.649588E+00 9.183926E-01 6.141605E-01 -2.679621E+00 -1.649588E+00 -2.679621E+00 -3.900107E+00
1.817845E+00 2.029449E+00 -1.146984E+00 2.029449E+00 -1.186259E+00 -2.014224E+00 -1.146984E+00 -2.014224E+00 -1.569761E+00
2.461432E+00 3.212072E+00 -5.034213E-02 3.212072E+00 1.834980E+00 -2.831953E+00 -5.034213E-02 -2.831953E+00 -3.527295E+00
2.053603E+00 4.367943E-01 3.336003E-01 4.367943E-01 -2.582722E+00 -1.882504E+00 3.336003E-01 -1.882504E+00 -1.795687E+00
-1.184753E-01 3.974847E-01 5.909799E-01 3.974847E-01 2.687308E-03 -2.366056E+00 5.909799E-01 -2.366056E+00 -5.105329E+00
7.903868E-01 1.515766E+00 -6.076250E-01 1.515766E+00 3.624674E+00 -2.042255E+00 -6.076250E-01 -2.042255E+00 5.015244E-02
3.273783E-01 -1.031050E+00 -6.577529E-01 -1.031050E+00 1.250994E+00 -2.225098E+00 -6.577529E-01 -2.225098E+00 -1.623541E+00
3.889490E+00 3.842790E+00 -2.463826E-01 3.842790E+00 1.440739E+00 -2.074602E+00 -2.463826E-01 -2.074602E+00 -2.410873E-01
2.808441E-01 2.574419E+00 1.008860E+00 2.574419E+00 -3.182868E-01 -3.791086E+00 1.008860E+00 -3.791086E+00 -4.086247E+00
-7.671154E-01 1.459560E+00 6.540136E-01 1.459560E+00 -9.934811E-02 -4.476447E+00 6.540136E-01 -4.476447E+00 -5.288517E+00
3.723928E-01 3.440146E+00 -8.298431E-01 3.440146E+00 3.002222E+00 -8.740106E-01 -8.298431E-01 -8.740106E-01 -2.817541E+00
3.215400E+00 1.161456E+00 -8.671352E-01 1.161456E+00 6.132069E+00 -4.714680E+00 -8.671352E-01 -4.714680E+00 -9.811195E-01
1.054982E+00 1.731868E+00 -7.580314E-01 1.731868E+00 2.752077E+00 -1.663945E+00 -7.580314E-01 -1.663945E+00 1.764859E+00
3.705978E-01 2.360818E+00 -6.478098E-01 2.360818E+00 4.043413E+00 -2.862907E+00 -6.478098E-01 -2.862907E+00 -1.620442E+00
1.672694E+00 7.475064E-01 2.024248E+00 7.475064E-01 3.695308E+00 -3.056240E+00 2.024248E+00 -3.056240E+00 -1.093122E+00
-3.024647E+00 9.518559E-01 -9.356444E-01 9.518559E-01 -2.736693E-01 -2.442576E+00 -9.356444E-01 -2.442576E+00 -3.364609E+00
-5.930455E-01 2.279970E+00 -2.553868E+00 2.279970E+00 3.339648E+00 -2.798404E+00 -2.553868E+00 -2.798404E+00 6.710047E-01
1.952470E+00 2.580490E+00 -4.824095E-01 2.580490E+00 2.140900E+00 -3.405960E+00 -4.824095E-01 -3.405960E+00 -4.536899E-01
2.203285E+00 6.731412E-01 7.766563E-01 6.731412E-01 7.003836E-01 -4.425442E+00 7.766563E-01 -4.
 
lehloks said:
...and I have modified to read a 9 component stress tensor data. I can compile it successfully but when I try to run it and compute a stress correlation function I get an error...
It's possible that your modifications were not correct.
Try to debug your program to find where is the error.

You code is long and you posted it again unformatted. I doubt, that somebody will edit it to compile it.
 
Hi

Sorry for adding an unedited code,I didnt know how tags work. I think the issue with the code might be with data format.


OUTPUT ERROR
**** PROGRAM TCORR ****
CALCULATION OF TIME CORRELATION FUNCTIONS
ENTER DATA FILE NAME
DFILE.txt
ENTER RESULTS FILE NAME
TRIAL_1
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
0.000000
8336
Segmentation fault




Code:
C     PROGRAM TCORR

      COMMON / BLOCK1 / STORA, STORB, STORC, STORD,STORE,STORF,STORG,
     & STORH, STORI
      COMMON / BLOCK2 / PA, PB, PC, PD, PE, PF, PG, PH , PI
      COMMON / BLOCK3 / PACF, ANORM

C *******************************************************************

      INTEGER N, NSTEP, IOR, NT, NDIM, DUNIT, RUNIT, NTIMOR
      INTEGER FULLUP
      PARAMETER ( N = 2377, NSTEP = 8, IOR = 2, NT = 8 )
      PARAMETER ( DUNIT = 10, RUNIT = 11 )
      PARAMETER ( NDIM = NT / IOR + 1, NTIMOR = NSTEP / IOR )
      PARAMETER ( FULLUP = NDIM - 1 )

      REAL PA(N), PB(N), PC(N), PD(N), PE(N), PF(N), PG(N), PH(N), PI(N)
      REAL STORA(NDIM,N), STORB(NDIM,N), STORC(NDIM,N),STORD(NDIM,N),
     &  STORE(NDIM,N),STORF(NDIM,N),STORG(NDIM,N),STORH(NDIM,N),
     &  STORI(NDIM,N)
      REAL PACF(NT), ANORM(NT)
      INTEGER S(NTIMOR), TM(NTIMOR)
      INTEGER TS, TSS, L, NINCOR, K, R, JA, IB, IN, IA, JO, I
      INTEGER NLABEL
      CHARACTER DUMMY * 5
      CHARACTER DFILE * 30
      CHARACTER RFILE * 30

C *******************************************************************

      WRITE(*,'('' **** PROGRAM TCORR **** '')')
      WRITE(*,'('' CALCULATION OF TIME CORRELATION FUNCTIONS '')')

C ** READ IN FILE NAMES **

      WRITE(*,'('' ENTER DATA FILE NAME '')')
      READ (*,'(A)') DFILE
      WRITE (*,'('' ENTER RESULTS FILE NAME '')')
      READ (*,'(A)') RFILE

C ** INITIALIZE COUNTERS **

      NINCOR = FULLUP
      JA = 1
      IA = 1
      IB = 1

C ** ZERO ARRAYS **

      DO 5 I = 1, NT

      PACF(I) = 0.0
      ANORM(I) = 0.0
      write(*,*) PACF(I)
    5 CONTINUE


C ** OPEN DATA FILE AND RESULTS FILE **

      OPEN ( UNIT = 13, FILE = DFILE, STATUS = 'OLD',
     : FORM = 'FORMATTED')

      OPEN ( UNIT = RUNIT, FILE = RFILE, STATUS = 'NEW' )

C ** CALCULATION BEGINS **

      DO 40 L = 1, NTIMOR

      JA = JA + 1
      S(L) = JA - 1

      READ (13, '(A5,I4)') DUMMY, NLABEL
      DO 7 R = 1, N

      READ(13,'(E13.6,8(2X,E13.6))')PA(R),PB(R),PC(R),PD(R),
     & PE(R),PF(R),PG(R),PH(R),PI(R)
    7 CONTINUE

      TM(L) = NLABEL
      write(*,*) TM(L)

C ** STORE STEP AS A TIME ORIGIN **
      CALL STOREE ( JA )

C ** CORRELATE THE ORIGINS IN STORE **

      DO 10 IN = IA, L

      TSS = TM(L) - TM(IN)
      TS = TSS + 1
      JO = S(IN) + 1
      CALL CORR ( JO, JA, TS )

   10 CONTINUE

C ** READ IN DATA BETWEEN TIME ORIGINS. THIS CAN **
C ** BE CONVENIENTLY STORED IN ELEMENT 1 OF THE **
C ** ARRAYS STORX ETC. AND CAN THEN BEN CORRELATED **
C ** WITH THE TIME ORIGINS. **

      DO 30 K = 1, IOR - 1

      READ (13, '(A5,I4)') DUMMY, NLABEL
      DO 15 R = 1, N
      READ(13,'(E13.6,8(2X,E13.6))')PA(R),PB(R),PC(R),PD(R),
     & PE(R),PF(R),PG(R),PH(R),PI(R)

   15 CONTINUE

      CALL STOREE ( 1 )

      DO 20 IN = IA, L

      TSS = NLABEL - TM(IN)
      TS = TSS + 1
      JO = S(IN) + 1
      CALL CORR ( JO, 1, TS )

   20 CONTINUE

   30 CONTINUE

      IF ( L .GE. FULLUP ) THEN

      IF ( L .EQ. NINCOR ) THEN

      NINCOR = NINCOR + FULLUP
      JA = 1

      ENDIF

      IA = IA + 1

      ENDIF

   40 CONTINUE

      CLOSE ( DUNIT )

C ** NORMALISE CORRELATION FUNCTIONS **

      PACF(1) = PACF(1) / ANORM(1) / REAL ( N )

      DO 50 I = 2, NT

      PACF(I) = PACF(I) / ANORM(I) / REAL ( N ) / PACF(1)

   50 CONTINUE

      WRITE ( RUNIT, '('' VELOCITY ACF '')')
      WRITE ( RUNIT, '(I6,E15.6)') ( I, PACF(I), I = 1, NT )

      CLOSE ( RUNIT )

      STOP
      END



      SUBROUTINE STOREE ( J1 )

      COMMON / BLOCK1 / STORA, STORB, STORC, STORD,STORE,STORF,STORG,
     & STORH,STORI
      COMMON/ BLOCK2 / PA, PB, PC, PD, PE, PF, PG, PH, PI

C ** SUBROUTINE TO STORE TIME ORIGINS **

      INTEGER J1
      INTEGER N, NT, IOR, NDIM
      PARAMETER ( N = 2377, NT = 8, IOR =8 )
      PARAMETER ( NDIM = NT / IOR + 1 )

      REAL STORA(NDIM,N), STORB(NDIM,N), STORC(NDIM,N),STORD(NDIM,N),
     & STORE(NDIM,N),STORF(NDIM,N),STORG(NDIM,N),STORH(NDIM,N),
     & STORI(NDIM,N)
      REAL PA(N), PB(N), PC(N), PD(N), PE(N), PF(N),PG(N), PH(N), PI(N)
      INTEGER I


      DO 10 I = 1, N

      STORA(J1,I) = PA(I)
      STORB(J1,I) = PB(I)
      STORC(J1,I) = PC(I)
      STORD(J1,I) = PD(I)
      STORE(J1,I) = PE(I)
      STORF(J1,I) = PF(I)
      STORG(J1,I) = PG(I)
      STORH(J1,I) = PH(I)
      STORI(J1,I) = PI(I)
   10 CONTINUE

      RETURN
      END



      SUBROUTINE CORR ( J1, J2, IT )

      COMMON / BLOCK1 / STORA, STORB, STORC, STORD,STORE,STORF,STORG,
     & STORH,STORI
      COMMON/ BLOCK3 / PACF, ANORM

C ** SUBROUTINE TO CORRELATE TIME ORIGINS **

      INTEGER J1, J2, IT
      INTEGER N, NT, IOR, NDIM
      PARAMETER ( N = 2377, NT = 8, IOR = 8 )
      PARAMETER ( NDIM = NT / IOR + 1 )

      REAL STORA(NDIM,N), STORB(NDIM,N), STORC(NDIM,N),STORD(NDIM,N),
     & STORE(NDIM,N),STORF(NDIM,N),STORG(NDIM,N),STORH(NDIM,N),
     & STORI(NDIM,N)

c     & STORB(NDIM,N)   
      REAL PACF(NT), ANORM(NT)
      INTEGER I

C ********************************************************************

      DO 10 I = 1, N

      PACF(IT) = PACF(IT) + STORA(J1,I) * STORA(J2,I)
     : + STORB(J1,I) * STORB(J2,I)
     : + STORC(J1,I) * STORC(J2,I)
     : + STORD(J1,I) * STORD(J2,I)
     : + STORE(J1,I) * STORE(J2,I)
     : + STORF(J1,I) * STORF(J2,I)
     : + STORG(J1,I) * STORG(J2,I)
     : + STORH(J1,I) * STORH(J2,I)
     : + STORI(J1,I) * STORI(J2,I)
   10 CONTINUE

      ANORM(IT) = ANORM(IT) + 1.0
      
      RETURN
      END


 
1. The data file you use isn't properly formatted. It must be something like original file, i.e:
Code:
STEP 1
data
...
STEP 2
data
...
It seems that you try to modify the original example from 3-columns data to 9-columns, but you have changed the structure of the datafile too. The program wants read the 5-character string and 4-digit integer, but you don't have this in your data file...
Code:
...
 READ (13, '(A5,I4)') DUMMY, NLABEL
...
The program expects data file structure as above. If your data file doesn't have these lines you must change the logic of reading.

2. There is problem with reading the data from the file in this format
Code:
READ(13,'(E13.6,8(2X,E13.6))')PA(R),PB(R),PC(R),PD(R),
     & PE(R),PF(R),PG(R),PH(R),PI(R)
Change tthe formatted read into
Code:
READ(13,*)PA(R),PB(R),PC(R),PD(R),
     & PE(R),PF(R),PG(R),PH(R),PI(R)

I cannot help you more because I don't know how the original program works and what should it do.

But IMHO: before you start to modify existing program for your purposes, you must understand how the original program works. Use a debugger to step thru the program and inspect the varaible values. If you don't have a debugger, you have to print variable values on the program lines you want to inspect.
Without understanding how the original code works, you have no chance tu reuse existing code.
 
Your IOR in the main program is 2 but in storee it is 8 so your common blocks are of different sizes.

To avoid the problem, put the common blocks in include files. It will take slightly longer to compile, but at least you won't spend ages hunting down the bug.

Code:
      PARAMETER ( N = 2377, NSTEP = 8, IOR = 2, NT = 8 )
      PARAMETER ( NDIM = NT / IOR + 1 )
Code:
      COMMON / BLOCK1 / STORA, STORB, STORC, STORD,STORE,STORF,STORG,
     & STORH, STORI

      REAL STORA(NDIM,N), STORB(NDIM,N), STORC(NDIM,N),STORD(NDIM,N),
     & STORE(NDIM,N),STORF(NDIM,N),STORG(NDIM,N),STORH(NDIM,N),
     & STORI(NDIM,N)
Code:
      COMMON/ BLOCK2 / PA, PB, PC, PD, PE, PF, PG, PH, PI
      REAL PA(N), PB(N), PC(N), PD(N), PE(N), PF(N),PG(N), PH(N), PI(N)
Code:
      COMMON/ BLOCK3 / PACF, ANORM
      REAL PACF(NT), ANORM(NT)
Code:
      INCLUDE 'const.inc'
      INCLUDE 'block1.inc'
      INCLUDE 'block2.inc'
      INCLUDE 'block3.inc'

...
      SUBROUTINE STOREEE ...
      INCLUDE 'const.inc'
      INCLUDE 'block1.inc'
      INCLUDE 'block2.inc'
...
 
Sorry, didn't check - the formatting has gone weird. You'll have to adjust the formatting.
 
What I forgot to say...
Look at these parameters
Code:
      PARAMETER ( N = 2377, NSTEP = 8, IOR = 2, NT = 8 )
      PARAMETER ( DUNIT = 10, RUNIT = 11 )
      PARAMETER ( NDIM = NT / IOR + 1, NTIMOR = NSTEP / IOR )
      PARAMETER ( FULLUP = NDIM - 1 )
You have to adjust these parameters for your data file. For example this loop
Code:
      DO 7 R = 1, N

      READ(13,'(E13.6,8(2X,E13.6))')PA(R),PB(R),PC(R),PD(R),
     & PE(R),PF(R),PG(R),PH(R),PI(R)
    7 CONTINUE
tries to read N = 2377 lines from your data file.
 
On F77, you don't need to use labels for the do loops.
Code:
      DO 10 II=1,20
         ...
10    CONTINUE
can be replaced by
Code:
      DO II=1,20
         ...
      ENDDO
The labels are just a hang over from F66 or FIV.
 
The original code read a certain number of time origins


NTIMOR = NSTEP / IOR = 1000 / 4 = 250

and after every time origin you have to read a certain number of time steps
Code:

IOR - 1 = 4 - 1 = 3

In practice the code reads 4 steps at each iteration (the first step being a time origin) and computes the time correlation. Then reads in the next 4 steps and compute the time correlation and so on to the end of the file.






 
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