[CP2K:1152] cp2k parallel compilation, compiler problem (intel f90)

Teodoro Laino teodor... at gmail.com
Mon Jul 7 11:06:31 CEST 2008


Dear Guille,

I have no idea what you downloaded/upgraded.. but this function call  
"pw_grid_setup1" is not in the
CVS repository since quite some time (several months!!).
My guess is that you have a pretty old version..

please do a "cvs update -A -d" from the main cp2k root directory and  
try to recompile it.
First try with the sopt.. if that works it must also work the popt  
(unless the mpif90 is getting a different
compiler version, which is always possible..)

Cheers
Teo

On 7 Jul 2008, at 10:55, guille wrote:
>           CALL pw_grid_setup1(cell_ref, xc_super_ref_pw_grid,
> print_section=print_section,&
> ^
> fortcom: Error: pw_poisson_types.f90, line 327: The shapes of the
> array expressions do not conform.   [N_NEW]
>              n_new= pw_grid_n_for_fft(&
> -------------^
> fortcom: Error: pw_poisson_types.f90, line 331: The storage extent of
> the dummy argument exceeds that of the actual argument.   [BOUNDS]
>                 CALL pw_grid_setup1(cell=cell_ref,
> pw_grid=mt_super_ref_pw_grid,&
> ^
> compilation aborted for pw_poisson_types.f90 (code 1)
> make[1]: *** [pw_poisson_types.o] Error 1
> make[1]: *** Waiting for unfinished jobs....
> fortcom: Error: ewald_spline_util.f90, line 408: The shapes of the
> array expressions do not conform.   [DN]
>           dn = Eval_d_Interp_Spl3_pbc((/xs1,xs2,xs3/),TabLR,error)
> ----------^
> compilation aborted for ewald_spline_util.f90 (code 1)
> make[1]: *** [ewald_spline_util.o] Error 1
> make: *** [build] Error 2
>
>
>
> It looks like an error in the code but it can't be: This version of
> the code used to compile with the older ifort 9.0 and mkl 8.0.2 (until
> we updated). I tried also with the latest version of the compiler
> (10.1.015) and I got the same errors, even without optimization flag.
> May it be the mpich lib? (but the test program for that library is
> compiling and running correctly)

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