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mendezm82
August 31st, 2012, 08:36 PM
Hi, I'm new in fortran and I trying to compile this code,


C************************************************* *************
C
C MINIMAL BASIS STO-3G CALCULATION ON HEH+
C
C THIS IS A LITTLE DUMMY MAIN PROGRAM WHICH CALLS HFCALC
C
C************************************************* **************
IMPLICIT DOUBLE PRECISION(A-H,O-Z)
IOP=2
N=3
R=1.4632D0
ZETA1=2.0925D0
ZETA2=1.24D0
ZA=2.0D0
ZB=1.0D0
CALL HFCALC(IOP,N,R,ZETA1,ZETA2,ZA,ZB)
END
but the ifort compilator yields the error:
/tmp/ifortGzYdor.o: In function `MAIN__':
hf.f:(.text+0xba): undefined reference to `hfcalc_'

any suggest?
thanks in advancement

ofnuts
August 31st, 2012, 11:45 PM
Hi, I'm new in fortran and I trying to compile this code,

C************************************************* *************
C
C MINIMAL BASIS STO-3G CALCULATION ON HEH+
C
C THIS IS A LITTLE DUMMY MAIN PROGRAM WHICH CALLS HFCALC
C
C************************************************* **************
IMPLICIT DOUBLE PRECISION(A-H,O-Z)
IOP=2
N=3
R=1.4632D0
ZETA1=2.0925D0
ZETA2=1.24D0
ZA=2.0D0
ZB=1.0D0
CALL HFCALC(IOP,N,R,ZETA1,ZETA2,ZA,ZB)
END
but the ifort compilator yields the error:/tmp/ifortGzYdor.o: In function `MAIN__':
hf.f:(.text+0xba): undefined reference to `hfcalc_'

any suggest?
thanks in advancement
Where do you expect the code for the HFCALC routine to come from? Did you wrote it? is it in some library?

This book (http://books.google.fr/books?id=6mV9gYzEkgIC&pg=PA417&lpg=PA417&dq=hfcalc+fortran&source=bl&ots=0-PH90IwyD&sig=OWYWA4h5T3UXTOdwcb0VFkxTxBc&hl=en#v=onepage&q=hfcalc%20fortran&f=false) has the source code for the routine.