try with this: i compiled wien2k_16.1 and it worked parfactly. install_libxc3.00sudoapt-get install autoconfsudoapt-get install libtoolautoreconf-i./configureFC=ifort CC=iccmake,make check, (make checl |tee results)sudomake installPath :/opt/etsf/lib/ ****************************************************** Nacir GUECHI Dr. Physique de la matière solide.Enseignant-Chercheur à l'université du Dr. Yahia FARES de Médéa, Algeria (www.univ-media.dz).Laboratoire d'études des surfaces et interfaces des matériaux solides (L.E.S.I.M.S), université Sétif1 (Algeria)http://laboratoires.univ-setif.dz/L.E.S.I.M.S/
Le Samedi 24 décembre 2016 15h25, Dr. K. C. Bhamu <kcbham...@gmail.com> a écrit : Dear Users,I compiled Wien2k_16.1 without any error on latest 64 bit Ubuntu OS on Lenovo laptop with ifort+cc (2015). If I install with LIBXC, I am getting below error(compile.msg file is attached here): Compile time errors (if any) were:SRC_lapw0/compile.msg:inputpars.F(6): error #7013: This module file was not generated by any release of this compiler. [XC_F03_LIB_M]SRC_lapw0/compile.msg:inputpars.F(17): error #6457: This derived type name has not been declared. [XC_F03_FUNC_T]SRC_lapw0/compile.msg:inputpars.F(18): error #6457: This derived type name has not been declared. [XC_F03_FUNC_INFO_T]SRC_lapw0/compile.msg:inputpars.F(161): error #6404: This name does not have a type, and must have an explicit type. [XC_FUNC]SRC_lapw0/compile.msg:inputpars.F(161): error #6404: This name does not have a type, and must have an explicit type. [XC_UNPOLARIZED]SRC_lapw0/compile.msg:inputpars.F(162): error #6404: This name does not have a type, and must have an explicit type. [XC_INFO]SRC_lapw0/compile.msg:inputpars.F(162): error #6404: This name does not have a type, and must have an explicit type. [XC_F03_FUNC_GET_INFO]SRC_lapw0/compile.msg:inputpars.F(163): error #6404: This name does not have a type, and must have an explicit type. [XC_F03_FUNC_INFO_GET_FAMILY]SRC_lapw0/compile.msg:inputpars.F(163): error #6608: In a CASE statement, the case-expr must be of type INTEGER, CHARACTER, or LOGICAL. [XC_F03_FUNC_INFO_GET_FAMILY]SRC_lapw0/compile.msg:inputpars.F(164): error #6404: This name does not have a type, and must have an explicit type. [XC_FAMILY_MGGA]SRC_lapw0/compile.msg:inputpars.F(164): error #6601: In a CASE statement, the case-value must be a constant expression. [XC_FAMILY_MGGA]SRC_lapw0/compile.msg:inputpars.F(164): error #6612: In a CASE statement, the case-value must be of type INTEGER, CHARACTER, or LOGICAL. [XC_FAMILY_MGGA]SRC_lapw0/compile.msg:inputpars.F(164): error #6404: This name does not have a type, and must have an explicit type. [XC_FAMILY_HYB_MGGA]SRC_lapw0/compile.msg:inputpars.F(164): error #6601: In a CASE statement, the case-value must be a constant expression. [XC_FAMILY_HYB_MGGA]SRC_lapw0/compile.msg:inputpars.F(164): error #6612: In a CASE statement, the case-value must be of type INTEGER, CHARACTER, or LOGICAL. [XC_FAMILY_HYB_MGGA]SRC_lapw0/compile.msg:inputpars.F(173): error #6608: In a CASE statement, the case-expr must be of type INTEGER, CHARACTER, or LOGICAL. [XC_F03_FUNC_INFO_GET_FAMILY]SRC_lapw0/compile.msg:inputpars.F(174): error #6601: In a CASE statement, the case-value must be a constant expression. [XC_FAMILY_MGGA]SRC_lapw0/compile.msg:inputpars.F(174): error #6612: In a CASE statement, the case-value must be of type INTEGER, CHARACTER, or LOGICAL. [XC_FAMILY_MGGA]SRC_lapw0/compile.msg:inputpars.F(174): error #6601: In a CASE statement, the case-value must be a constant expression. [XC_FAMILY_HYB_MGGA]SRC_lapw0/compile.msg:inputpars.F(174): error #6612: In a CASE statement, the case-value must be of type INTEGER, CHARACTER, or LOGICAL. [XC_FAMILY_HYB_MGGA]SRC_lapw0/compile.msg:inputpars.F(189): error #6608: In a CASE statement, the case-expr must be of type INTEGER, CHARACTER, or LOGICAL. [XC_F03_FUNC_INFO_GET_FAMILY]SRC_lapw0/compile.msg:inputpars.F(190): error #6601: In a CASE statement, the case-value must be a constant expression. [XC_FAMILY_MGGA]SRC_lapw0/compile.msg:inputpars.F(190): error #6612: In a CASE statement, the case-value must be of type INTEGER, CHARACTER, or LOGICAL. [XC_FAMILY_MGGA]SRC_lapw0/compile.msg:inputpars.F(190): error #6601: In a CASE statement, the case-value must be a constant expression. [XC_FAMILY_HYB_MGGA]SRC_lapw0/compile.msg:inputpars.F(190): error #6612: In a CASE statement, the case-value must be of type INTEGER, CHARACTER, or LOGICAL. [XC_FAMILY_HYB_MGGA]SRC_lapw0/compile.msg:inputpars.F(195): error #6608: In a CASE statement, the case-expr must be of type INTEGER, CHARACTER, or LOGICAL. [XC_F03_FUNC_INFO_GET_FAMILY]SRC_lapw0/compile.msg:inputpars.F(196): error #6601: In a CASE statement, the case-value must be a constant expression. [XC_FAMILY_MGGA]SRC_lapw0/compile.msg:inputpars.F(196): error #6612: In a CASE statement, the case-value must be of type INTEGER, CHARACTER, or LOGICAL. [XC_FAMILY_MGGA]SRC_lapw0/compile.msg:inputpars.F(196): error #6601: In a CASE statement, the case-value must be a constant expression. [XC_FAMILY_HYB_MGGA]SRC_lapw0/compile.msg:inputpars.F(196): error #6612: In a CASE statement, the case-value must be of type INTEGER, CHARACTER, or LOGICAL. [XC_FAMILY_HYB_MGGA]SRC_lapw0/compile.msg:/tmp/ifort150RO5.i(813): catastrophic error: Too many errors, exitingSRC_lapw0/compile.msg:make[1]: *** [inputpars.o] Error 1SRC_lapw0/compile.msg:make: *** [seq] Error 2 Check file compile.msg in the corresponding SRC_* directory for the compilation log and more info on any compilation problem. Press RETURN to continue Please suggest me how to get rig of this problem. PFA comile.msg SincerelyBhamu _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
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