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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