[gmx-users] Error when compiled with fortran compiler in double precision

Bert zhoubo81 at gmail.com
Sat Aug 21 16:43:29 CEST 2010


Dear gmx-users,

 

An error was found when compiled gmx with fortran compiler in double
precision, listed in the following:

 

../../../../../gmx-git/src/gmxlib/nonbonded/nb_kernel_f77_double/nb_kernel_f
77_double.c:141: error: 'nbkernel204_f77_double' undeclared here (not in a
function)

../../../../../gmx-git/src/gmxlib/nonbonded/nb_kernel_f77_double/nb_kernel_f
77_double.c:142: error: 'nbkernel210_f77_double' undeclared here (not in a
function)

../../../../../gmx-git/src/gmxlib/nonbonded/nb_kernel_f77_double/nb_kernel_f
77_double.c:143: error: 'nbkernel211_f77_double' undeclared here (not in a
function)

../../../../../gmx-git/src/gmxlib/nonbonded/nb_kernel_f77_double/nb_kernel_f
77_double.c:144: error: 'nbkernel212_f77_double' undeclared here (not in a
function)

../../../../../gmx-git/src/gmxlib/nonbonded/nb_kernel_f77_double/nb_kernel_f
77_double.c:145: error: 'nbkernel213_f77_double' undeclared here (not in a
function)

../../../../../gmx-git/src/gmxlib/nonbonded/nb_kernel_f77_double/nb_kernel_f
77_double.c:146: error: 'nbkernel214_f77_double' undeclared here (not in a
function)

 

When I check the file "nb_kernel_f77_double.c", the lines of inclusion were
like this:

#include "nbkernel010_f77_double.h"

#include "nbkernel020_f77_double.h"

#include "nbkernel030_f77_double.h"

#include "nbkernel100_f77_double.h"

#include "nbkernel101_f77_double.h"

 

The naming of these header files are not consistent with the file name in
dir nb_kernel_f77_double. Obviously an underline is lost here. I hope this
issue will be fixed soon.

 

Version: Gromacs-4.5b3 and the latest git vesion

Command: configure --disable-float --enable-fortran ...

 

Best Regards,

Bert

 

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