VASP 5.4.4 source fftw3d.f90 has non-standard fortran (real not integer array index) in file fftw3d.f90 creating a compile error with Cray fortran (CCE 10).
> 2501 ftn -ffree -dC -rmo -emEb -O3 -Ofast -hfp3 -O1
> -I/opt/cray/pe/fftw/3.3.8.7/x86_rome/include -c fftw3d.f90
> 2502 ftn-714 crayftn: WARNING in command line
> 2503 The "-O3" command has been overridden by the "-O1" command.
> 2504
> 2505 CR(GRID%NINDPWCONJG(M))=CONJG(C(GRID%IND_IN_SPHERE(M)))*GRID%FFTSCA(GRID%IND_IN_SPHERE(M),2)
> 2506 ^
> 2507 ftn-319 crayftn: ERROR FFTWAV, File = fftw3d.f90, Line = 283, Column = 32
> 2508 A subscript must be a scalar integer expression.
> 2509 ^
> 2510 ftn-319 crayftn: ERROR FFTWAV, File = fftw3d.f90, Line = 283, Column = 63
> 2511 A subscript must be a scalar integer expression.
> 2512 ^
> 2513 ftn-319 crayftn: ERROR FFTWAV, File = fftw3d.f90, Line = 283, Column = 99
> 2514 A subscript must be a scalar integer expression.
> 2515
> 2516 make[2]: *** [makefile:173: fftw3d.o] Error 1
The code is violating this F2018 rule
R919 subscript is scalar-int-expr
Earlier standards have the same rule but under different number, e.g. in F2008 it is R619, etc.
This patch fixes it:
--- fft3dsimple.F.orig 2020-07-29 05:31:36.111646000 -0500
+++ fft3dsimple.F 2020-07-29 05:32:23.633772000 -0500
@@ -240,7 +240,7 @@
!DIR$ IVDEP
!OCL NOVREC
DO M=1,SIZE(GRID%IND_IN_SPHERE)
- CR(GRID%NINDPWCONJG(M))=CONJG(C(GRID%IND_IN_SPHERE(M)))*GRID%FFTSCA(GRID%IND_IN_SPHERE(M),2)
+
+ CR(int(GRID%NINDPWCONJG(M)))=CONJG(C(int(GRID%IND_IN_SPHERE(M))))*GRID
+ %FFTSCA(int(GRID%IND_IN_SPHERE(M)),2)
ENDDO
#endif
ELSE
Please add this correction to any updates.
NON-standard FORTRAN in fftw3d.f90 causes compile issue
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Re: NON-standard FORTRAN in fftw3d.f90 causes compile issue
Hi,
Thanks for your bug report.
This bug has been fixed in VASP6.
Thanks for your bug report.
This bug has been fixed in VASP6.