[Wien] Compilation error with libxc
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, exiting SRC_lapw0/compile.msg:make[1]: *** [inputpars.o] Error 1 SRC_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
Re: [Wien] Compilation error with libxc
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 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
Re: [Wien] Compilation error with libxc
On 12/24/2016 03:24 PM, Dr. K. C. Bhamu wrote: 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] When you install the libxc you probably have to tell him, that your fortran compiler is ifort (and not gfortran). 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, exiting SRC_lapw0/compile.msg:make[1]: *** [inputpars.o] Error 1 SRC_lapw0/compile.msg:make: *** [seq] Erro
Re: [Wien] Compilation error with libxc
Thank you Prof, Peter I put FC=ifort when libxc was installed. The below reply may hel me but, its mixed so could not get it. Please help to keep it in parts (the blue one), 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/ Sincerely Bhamu On Tue, Dec 27, 2016 at 3:15 PM, Peter Blaha wrote: > > > On 12/24/2016 03:24 PM, Dr. K. C. Bhamu wrote: > >> 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] >> > > > When you install the libxc you probably have to tell him, that your > fortran compiler is ifort (and not gfortran). > > > > > > 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)
