[Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories

[Michael Fechtelkord]

Dear all,


just a few new results and informatuion using the Intel ifx compiler. 
ELPA, FFTW, LIBXC and MPICH compile fine and also check procedure shows 
no errors.


WIEN2k seems to have problems when using no explicit types for 
variables. A short summary of the errors all in libxc_mod.F:

SRC_lapw0/compile.msg:libxc_mod.F(4): error #7002: Error in opening the 
compiled module file.  Check INCLUDE paths. [XC_F03_LIB_M]
SRC_lapw0/compile.msg:libxc_mod.F(9): error #6457: This derived type 
name has not been declared.   [XC_F03_FUNC_T]
SRC_lapw0/compile.msg:libxc_mod.F(10): error #6457: This derived type 
name has not been declared.   [XC_F03_FUNC_INFO_T]
SRC_lapw0/compile.msg:libxc_mod.F(22): error #6404: This name does not 
have a type, and must have an explicit type.   [XC_FUNC_X]
SRC_lapw0/compile.msg:libxc_mod.F(22): error #6404: This name does not 
have a type, and must have an explicit type. [XC_UNPOLARIZED]
SRC_lapw0/compile.msg:libxc_mod.F(23): error #6404: This name does not 
have a type, and must have an explicit type.   [XC_FUNC_C]
SRC_lapw0/compile.msg:libxc_mod.F(25): error #6404: This name does not 
have a type, and must have an explicit type.   [XC_POLARIZED]
SRC_lapw0/compile.msg:libxc_mod.F(38): error #6404: This name does not 
have a type, and must have an explicit type.   [XC_INFO_C]
SRC_lapw0/compile.msg:libxc_mod.F(38): error #6404: This name does not 
have a type, and must have an explicit type. [XC_F03_FUNC_GET_INFO]
SRC_lapw0/compile.msg:libxc_mod.F(39): error #6404: This name does not 
have a type, and must have an explicit type.   [XC_INFO_X]
SRC_lapw0/compile.msg:libxc_mod.F(40): error #6404: This name does not 
have a type, and must have an explicit type. [XC_F03_FUNC_INFO_GET_FLAGS]
SRC_lapw0/compile.msg:libxc_mod.F(4): error #7002: Error in opening the 
compiled module file.  Check INCLUDE paths. [XC_F03_LIB_M]
SRC_lapw0/compile.msg:libxc_mod.F(9): error #6457: This derived type 
name has not been declared.   [XC_F03_FUNC_T]
SRC_lapw0/compile.msg:libxc_mod.F(10): error #6457: This derived type 
name has not been declared.   [XC_F03_FUNC_INFO_T]
SRC_lapw0/compile.msg:libxc_mod.F(22): error #6404: This name does not 
have a type, and must have an explicit type.   [XC_FUNC_X]
SRC_lapw0/compile.msg:libxc_mod.F(22): error #6404: This name does not 
have a type, and must have an explicit type. [XC_UNPOLARIZED]
SRC_lapw0/compile.msg:libxc_mod.F(23): error #6404: This name does not 
have a type, and must have an explicit type.   [XC_FUNC_C]
SRC_lapw0/compile.msg:libxc_mod.F(25): error #6404: This name does not 
have a type, and must have an explicit type.   [XC_POLARIZED]
SRC_lapw0/compile.msg:libxc_mod.F(38): error #6404: This name does not 
have a type, and must have an explicit type.   [XC_INFO_C]
SRC_lapw0/compile.msg:libxc_mod.F(38): error #6404: This name does not 
have a type, and must have an explicit type. [XC_F03_FUNC_GET_INFO]
SRC_lapw0/compile.msg:libxc_mod.F(39): error #6404: This name does not 
have a type, and must have an explicit type.   [XC_INFO_X]
SRC_lapw0/compile.msg:libxc_mod.F(40): error #6404: This name does not 
have a type, and must have an explicit type. [XC_F03_FUNC_INFO_GET_FLAGS]

In addition Segmenation violation signals occur in several modules.


Best regards

Michael

-- 
Dr. Michael Fechtelkord

Institut für Geologie, Mineralogie und Geophysik
Ruhr-Universität Bochum
Universitätsstr. 150
D-44780 Bochum

Phone: +49 (234) 32-24380
Fax:  +49 (234) 32-04380
Email: Michael.Fechtelkord at ruhr-uni-bochum.de
Web Page: https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/