[Wien] WIen2k install using Oneapi

[Nestoklon Mikhail]

For mstar I have no idea why the error occurs, did you forget to add
-qopenmp flag in compiler options?
For reformat, add int to definition of function in reformat.c (line 3 of
file SRC_reformat/reformat.c should be "int main(argc,argv)")

M.

On Mon, 27 May 2024 at 10:06, 夏宇阳 <harriron at sjtu.edu.cn> wrote:

> Thank you, sir.
>
> But some error still exists.
>
> SRC_mstar/compile.msg:mstar.f90(57): error #7002: Error in opening the
> compiled module file.  Check INCLUDE paths.   [OMP_LIB]
> SRC_reformat/compile.msg:reformat.c:3:1: error: type specifier missing,
> defaults to 'int'; ISO C99 and later do not support implicit int
> [-Wimplicit-int]
> SRC_reformat/compile.msg:1 warning and 1 error generated.
> SRC_sumpara/compile.msg:sumpara.F(4): error #7002: Error in opening the
> compiled module file.  Check INCLUDE paths.   [OMP_LIB]
> SRC_wplot/compile.msg:modules.f(195): error #6911: The syntax of this
> substring is invalid.   [CART]
> SRC_wplot/compile.msg:modules.f(195): error #6911: The syntax of this
> substring is invalid.   [CART]
>
> Best wishes!
> Xiayuyang
> ----- 原始邮件 -----
> 发件人: "Nestoklon Mikhail" <nestoklon at gmail.com>
> 收件人: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
> 发送时间: 星期一, 2024年 5 月 27日 下午 3:38:06
> 主题: Re: [Wien] WIen2k install using Oneapi
>
> Dear Xiayuyang,
> From the errors it is clear that you did not recompile libxc with a new
> compiler.
> Note that fftw and elpa (if you use it) should be also recompiled.
>
> Sincerely yours,
> Mikhail
>
> On Mon, 27 May 2024 at 07:36, 夏宇阳 < [ mailto:harriron at sjtu.edu.cn |
> harriron at sjtu.edu.cn ] > wrote:
>
>
> Dear all,
>
> When i install Wien2K using OneAPI, i found "icc" was deprecated. There is
> only "icx".
>
> I followed the steps of Gavin Abo's guide just replaced all "icc" with
> "icx". And it came out errors after complie.
>
> SRC_lapw0/compile.msg:libxc_mod.F(4): error #7013: This module file was
> not generated by any release of this compiler. [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(5): error #6580: Name in only-list does
> not exist or is not accessible. [XCCONST]
> SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name in only-list does
> not exist or is not accessible. [VX_SWITCH]
> SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name in only-list does
> not exist or is not accessible. [VC_SWITCH]
> SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name in only-list does
> not exist or is not accessible. [EX_SWITCH]
> SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name in only-list does
> not exist or is not accessible. [EC_SWITCH]
> 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(34): error #6404: This name does not
> have a type, and must have an explicit type. [XCCONST]
> 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(56): error #6404: This name does not
> have a type, and must have an explicit type. [VC_SWITCH]
> SRC_lapw0/compile.msg:libxc_mod.F(56): error #6404: This name does not
> have a type, and must have an explicit type. [EC_SWITCH]
> SRC_lapw0/compile.msg:libxc_mod.F(57): error #6404: This name does not
> have a type, and must have an explicit type. [VX_SWITCH]
> SRC_lapw0/compile.msg:libxc_mod.F(57): error #6404: This name does not
> have a type, and must have an explicit type. [EX_SWITCH]
> SRC_lapw0/compile.msg:libxc_mod.F(4): error #7013: This module file was
> not generated by any release of this compiler. [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(5): error #6580: Name in only-list does
> not exist or is not accessible. [XCCONST]
> SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name in only-list does
> not exist or is not accessible. [VX_SWITCH]
> SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name in only-list does
> not exist or is not accessible. [VC_SWITCH]
> SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name in only-list does
> not exist or is not accessible. [EX_SWITCH]
> SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name in only-list does
> not exist or is not accessible. [EC_SWITCH]
> 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(34): error #6404: This name does not
> have a type, and must have an explicit type. [XCCONST]
> 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(56): error #6404: This name does not
> have a type, and must have an explicit type. [VC_SWITCH]
> SRC_lapw0/compile.msg:libxc_mod.F(56): error #6404: This name does not
> have a type, and must have an explicit type. [EC_SWITCH]
> SRC_lapw0/compile.msg:libxc_mod.F(57): error #6404: This name does not
> have a type, and must have an explicit type. [VX_SWITCH]
> SRC_lapw0/compile.msg:libxc_mod.F(57): error #6404: This name does not
> have a type, and must have an explicit type. [EX_SWITCH]
> SRC_mstar/compile.msg:mstar.f90(57): error #7002: Error in opening the
> compiled module file. Check INCLUDE paths. [OMP_LIB]
> SRC_reformat/compile.msg:reformat.c:3:1: error: type specifier missing,
> defaults to 'int'; ISO C99 and later do not support implicit int
> [-Wimplicit-int]
> SRC_reformat/compile.msg:1 warning and 1 error generated.
> SRC_sumpara/compile.msg:sumpara.F(4): error #7002: Error in opening the
> compiled module file. Check INCLUDE paths. [OMP_LIB]
> SRC_wplot/compile.msg:modules.f(195): error #6911: The syntax of this
> substring is invalid. [CART]
> SRC_wplot/compile.msg:modules.f(195): error #6911: The syntax of this
> substring is invalid. [CART]
>
> what should i do to solve it?
>
> Best wishes!
>
> Xiayuyang
>
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