[Wien] Space group not found (C compiler)

B. Yanchitsky yan at im.imag.kiev.ua
Thu Aug 10 13:43:24 CEST 2006


L. D. Marks wrote:
 > I strongly suggest that you use gcc for the C code in Wien2k. The gcc
 > compiler is very forgiving, and some of the C code in Wien2k is old and
 > incompatible with newer, less tolerant compilers. Someone who knows and
 > likes C (I don't, and I don't think Peter does) would benefit everyone by
 > looking the code over with -Wall and cleaning it up.
 >

Dear Laurence,

I had a look into icc with -Wall flag. -Wall produces remarks, warnings and errors.
In my understanding primary purpose of "remarks" is rather internal compiler diagnostic.
Just for example consider the line
     a=cos(b)+sin(c)

C standard does not specify which function must be calculated at first (cos or sin) because
operation "+" is commutative, and with -Wall flag icc produces the following remark

a.c(6): remark #981: operands are evaluated in unspecified order
      a=cos(b)+sin(c);
              ^
Just try the following program to see that
#include <math.h>
int main(void)
{
    double a,b=0.,c=0.;
    a=cos(b)+sin(c);
    return(0);
}


For warnings and errors there exists -w1 flag.

Regards,

Bogdan Yachitsky
Institute of Magnetism
Vernadsky Blvd., 36-b
03142  Kiev
UKRAINE

Tel. (+380-44) 444 34 20
Fax. (+380-44) 444 10 20






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