1. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 1 Mixed Language Programming on Seaborg Mark Durst NERSC User Services

2. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 2 Overview Matching variable types Mixing C and FORTRAN Mixing C++ and FORTRAN Mixing C and FORTRAN modules Character arguments Mixed-case names Other issues Mixed-language library use Further References

3. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 3 Type Correspondences FORTRANC/C++Bytes REAL, REAL*4, REAL(KIND=4)float 4 REAL*8, REAL(KIND=8), DOUBLE PRECISION double 8 REAL*16, REAL(KIND=16)long double (with -qlongdouble) 16 INTEGER*4, INTEGER(KIND=4)int, long int 4 INTEGER*8, INTEGER(KIND=8)long long int (may require –qlonglong) 8 INTEGER*2short int 2 COMPLEX, COMPLEX*4structure of two floats 8 COMPLEX*8structure of two doubles 16 DOUBLE COMPLEX, COMPLEX*16structure of two long doubles 32 CHARACTER Here be dragons…

4. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 4 Calling C from FORTRAN Calling by reference expected by FORTRAN Lowercase C routine name easiest (since Fortran by default not case-sensitive) No change in routine name  –qextname option to xlf and –brename option to ld provide other options

5. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 5 Calling C from FORTRAN (example) !FILENAME: f_main.f ! PROGRAM f_calls_c IMPLICIT NONE REAL :: p1_x, p1_y, p2_x, p2_y EXTERNAL calc_dist p1_x = 0.0 p1_y = 0.0 p2_x = 3.0 p2_y = 4.0 CALL calc_dist(p1_x,p1_y,p2_x,p2_y) END PROGRAM f_calls_c /* FILENAME: calc_c.c */ #include void calc_dist(float *x1, float *y1, float *x2, float *y2) { float dxsq, dysq, distance; dxsq = (*x2-*x1)*(*x2-*x1); dysq = (*y2-*y1)*(*y2-*y1); distance = sqrt( dxsq + dysq ); printf("The distance between the points is %13.5e\n", distance); }

6. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 6 Calling C from FORTRAN (running) > cc -c calc_c.c > xlf90 -o f_calls_c f_main.f calc_c.o ** f_calls_c === End of Compilation 1 === 1501-510 Compilation successful for file f_main.f. >./f_calls_c The distance between the points is 5.00000e+00

7. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 7 Calling FORTRAN from C Again, calling by reference most straightforward Must specify –lxlf90 –lm in cc command  Or use xlf90 to load

8. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 8 Calling FORTRAN from C (example) /* FILENAME: c_main.c Shows how to call a FORTRAN routine from C */ extern void calc_dist(float*, float*, float*, float*); void main() { float p1_x,p1_y,p2_x,p2_y; p1_x = 0.0; p1_y = 0.0; p2_x = 3.0; p2_y = 4.0; calc_dist(&p1_x,&p1_y,&p2_x,&p2_y); } ! FILENAME: calc_f.f ! SUBROUTINE calc_dist(x1,y1,x2,y2) IMPLICIT NONE REAL :: x1,y1,x2,y2 REAL :: distance distance = SQRT( (x2-x1)**2 + (y2- y1)**2 ) WRITE(6,1) distance 1 FORMAT("The distance between the points is ", 1pe13.5) END SUBROUTINE calc_dist

9. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 9 Calling FORTRAN from C (running) > xlf90 -c calc_f.f ** calc_dist === End of Compilation 1 === 1501-510 Compilation successful for file calc_f.f. > cc -o c_calls_f c_main.c calc_f.o -lxlf90 -lm >./c_calls_f The distance between the points is 5.00000E+00

10. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 10 Calling C++ from FORTRAN Must have C wrapper function  C++ compiler mangles routine names C wrapper name handled just like C  Also any C++ that is “just like” C xlC command must be used to link

11. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 11 Calling C++ from FORTRAN ( C++ code) /* FILENAME: calc_c++.h This is the C++ routine. */ #include template class calc { public: calc() {cout <<"Inside C++ constructor"<<endl;} ~calc() {cout <<"Inside C++ destructor"<<endl;} void calc_dist(T *x1, T *y1, T *x2, T *y2) { T dxsq, dysq, distance; dxsq = (*x2-*x1)*(*x2-*x1); dysq = (*y2-*y1)*(*y2-*y1); distance = sqrt( dxsq + dysq ); cout <<"The distance between the points is " <<distance<<" \n"<<endl; } };

12. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 12 Calling C++ from FORTRAN ( C wrapper) /* Filename: calc_cwrapper.C */ #include #include "calc_c++.h" extern "C" void calc_dist(float *x,float *y,float *X,float *Y); void calc_dist(float *x,float *y,float *X,float *Y) { printf("Inside C function, creating C++ object\n"); calc * c=new calc (); c->calc_dist(x,y,X,Y); printf("Back in C function, will delete C++ object\n"); delete c; }

13. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 13 Calling C++ from FORTRAN (running) > xlf90 -c f_main.f ** f_calls_c === End of Compilation 1 === 1501-510 Compilation successful for file f_main.f. > xlC -c calc_cwrapper.C > xlC -o f_calls_c++ calc_cwrapper.o f_main.o -lm - lxlf90 >./f_calls_c++ Inside C function, creating C++ object Inside C++ constructor The distance between the points is 5 Back in C function, will delete C++ object Inside C++ destructor

14. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 14 Calling FORTRAN from C++ Can simply declare FORTRAN subroutine like C: extern "C" void fortran_routine_name Or with FORTRAN function: extern "C" return_type fortran_routine_name

15. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 15 Calling F90 module routines from C Refer to FORTRAN routine as __modulename_MOD_routinename There is apparently a way for C to read prototype info out of.mod files

16. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 16 Calling F90 module routines from C (module code) ! FILENAME: calc_mod_f.f ! MODULE CALCULATION CONTAINS SUBROUTINE CALC_DIST(x1,y1,x2,y2) IMPLICIT NONE REAL :: x1,y1,x2,y2 REAL :: distance distance = SQRT( (x2-x1)**2 + (y2-y1)**2 ) WRITE(6,1) distance 1 FORMAT("The distance between the points is ", 1pe13.5) END SUBROUTINE CALC_DIST END MODULE CALCULATION

17. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 17 Calling F90 module routines from C ( C code) /* FILENAME: c_main_mod.c Shows how to call a FORTRAN routine from C In this case the FORTRAN routine, named CALC_DIST, is in the FORTRAN module named calculation */ extern void __calculation_MOD_calc_dist(float *, float *, float *, float *); void main() { float p1_x,p1_y,p2_x,p2_y; p1_x = 0.0; p1_y = 0.0; p2_x = 3.0; p2_y = 4.0; __calculation_MOD_calc_dist(&p1_x,&p1_y,&p2_x,&p2_y); }

18. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 18 Calling F90 module routines from C (running) > xlf90 -c calc_mod_f.f ** calculation === End of Compilation 1 === 1501-510 Compilation successful for file calc_mod_f.f. > cc -o c_calls_f_mod c_main_mod.c calc_mod_f.o -lxlf90 -lm >./c_calls_f_mod The distance between the points is 5.00000E+00

19. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 19 Handling character arguments FORTRAN passes (by value) an extra argument with the length of the string C assumes strings are a null-terminated sequence of bytes Can process this argument at the C end Can null-terminate strings at the FORTRAN end  CALL TAKE_CHARS(b // CHAR(0))  may also want %REF

20. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 20 Mixed case names -U option in xlf  All functions, variables, and names become case-sensitive @PROCESS MIXED compiler directive  on a specific compiler unit

21. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 21 Design Issues Porting an existing code  make and version control recommended Designing a new code  FORTRAN for numbers  C for strings  (or avoid entirely) Maintaining portability  Wrappers/shims useful  make (but try to avoid “code schism”)  Maybe -qextname

22. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 22 Miscellaneous Issues Compiler options are frequent pitfall (or helper)  including: -qalign, -q32, -q64, -qautodbl, - qintsize, -qnullterm, -qrealsize Name conflicts can occur (e.g., main )  -qextname can help (but with added complexity…)  Ditto -brename %VAL and %REF built-in functions

23. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 23 Miscellaneous Issues (cont’d) -qextchk can help find errors; ditto –qsigtrap, xl__trbk and -g “Funny” FORTRAN function return values not supported  pointer, array, or character of nonconstant length (not that I can make this work even with simple examples) Can share data structures C  FORTRAN Cross-language I/O: Just say no!

24. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 24 Cross-language library calls No particular tricks; as described above For C, function prototypes may be a challenge  Can simply roll your own Load with xlf90 for FORTRAN libraries 64-bit or 32-bit uniformity; ditto thread-safe Column-major (FORTRAN) vs. row-major (C) array order

25. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 25 Cross-language library call (example) !FILENAME: wrap_s01baf.f ! ! Gives an example of wrapping a ! Fortran function into a ! subroutine that can be called ! by even the most incompetent ! cross-language programmer, viz. ! - Mark Durst subroutine wrap_s01baf(x,y,i) double precision :: x, y integer :: i y = s01baf(x,i) end subroutine wrap_s01baf /* FILENAME: c_nag.c Shows how to call a FORTRAN wrapper for a NAG routine from C */ #include extern void wrap_s01baf(double*,double*, int*); main(int argc, char *argv[]){ double x, y; int ifail; x =1.0; y = 0.0; wrap_s01baf(&x,&y, &ifail); printf("%f\n",y); }

26. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 26 Cross-language library call (running) > xlf90 -c wrap_s01baf.f ** wrap_s01baf === End of Compilation 1 === 1501-510 Compilation successful for file wrap_s01baf.f. > cc -c c_nag.c > module load nag > xlf90 -o c_nag c_nag.o wrap_s01baf.o $NAG >./c_nag 0.693147

27. N ATIONAL E NERGY R ESEARCH S CIENTIFIC C OMPUTING C ENTER 27 Further References Examples and most content are from http://www.nersc.gov/nusers/resources/software/ibm/c_and_f.php More details in XL Fortran User’s Guide, Ch. 10 http://www.nersc.gov/vendor_docs/ibm/xlf/html  HPC Users  Seaborg  Software  Compilers  xlf vendor  User’s Guide