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</o:shapelayout></xml><![endif]--></head><body lang=ZH-CN link=blue vlink=purple style='text-justify-trim:punctuation'><div class=WordSection1><p class=MsoPlainText><span lang=EN-US>Dear gmx-users,<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US><o:p> </o:p></span></p><p class=MsoPlainText><span lang=EN-US>An error was found when compiled gmx with fortran compiler in double precision, listed in the following:<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US><o:p> </o:p></span></p><p class=MsoPlainText><span lang=EN-US>../../../../../gmx-git/src/gmxlib/nonbonded/nb_kernel_f77_double/nb_kernel_f77_double.c:141: error: </span><span lang=EN-US style='font-family:"Courier New"'>‘</span><span lang=EN-US>nbkernel204_f77_double</span><span lang=EN-US style='font-family:"Courier New"'>’</span><span lang=EN-US> undeclared here (not in a function)<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>../../../../../gmx-git/src/gmxlib/nonbonded/nb_kernel_f77_double/nb_kernel_f77_double.c:142: error: </span><span lang=EN-US style='font-family:"Courier New"'>‘</span><span lang=EN-US>nbkernel210_f77_double</span><span lang=EN-US style='font-family:"Courier New"'>’</span><span lang=EN-US> undeclared here (not in a function)<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>../../../../../gmx-git/src/gmxlib/nonbonded/nb_kernel_f77_double/nb_kernel_f77_double.c:143: error: </span><span lang=EN-US style='font-family:"Courier New"'>‘</span><span lang=EN-US>nbkernel211_f77_double</span><span lang=EN-US style='font-family:"Courier New"'>’</span><span lang=EN-US> undeclared here (not in a function)<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>../../../../../gmx-git/src/gmxlib/nonbonded/nb_kernel_f77_double/nb_kernel_f77_double.c:144: error: </span><span lang=EN-US style='font-family:"Courier New"'>‘</span><span lang=EN-US>nbkernel212_f77_double</span><span lang=EN-US style='font-family:"Courier New"'>’</span><span lang=EN-US> undeclared here (not in a function)<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>../../../../../gmx-git/src/gmxlib/nonbonded/nb_kernel_f77_double/nb_kernel_f77_double.c:145: error: </span><span lang=EN-US style='font-family:"Courier New"'>‘</span><span lang=EN-US>nbkernel213_f77_double</span><span lang=EN-US style='font-family:"Courier New"'>’</span><span lang=EN-US> undeclared here (not in a function)<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>../../../../../gmx-git/src/gmxlib/nonbonded/nb_kernel_f77_double/nb_kernel_f77_double.c:146: error: </span><span lang=EN-US style='font-family:"Courier New"'>‘</span><span lang=EN-US>nbkernel214_f77_double</span><span lang=EN-US style='font-family:"Courier New"'>’</span><span lang=EN-US> undeclared here (not in a function)<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US><o:p> </o:p></span></p><p class=MsoPlainText><span lang=EN-US>When I check the file "nb_kernel_f77_double.c", the lines of inclusion were like this:<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>#include "nbkernel010_f77_double.h"<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>#include "nbkernel020_f77_double.h"<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>#include "nbkernel030_f77_double.h"<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>#include "nbkernel100_f77_double.h"<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>#include "nbkernel101_f77_double.h"<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US><o:p> </o:p></span></p><p class=MsoPlainText><span lang=EN-US>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.<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US><o:p> </o:p></span></p><p class=MsoPlainText><span lang=EN-US>Version: Gromacs-4.5b3 and the latest git vesion<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>Command: configure --disable-float --enable-fortran ...<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US><o:p> </o:p></span></p><p class=MsoPlainText><span lang=EN-US>Best Regards,<o:p></o:p></span></p><p class=MsoPlainText><span lang=EN-US>Bert<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p></div></body></html>