[Wien] WIen2k install using Oneapi

夏宇阳 harriron at sjtu.edu.cn
Mon May 27 20:19:32 CEST 2024


mstar.f90(57): error #7002: Error in opening the compiled module file.  Check INCLUDE paths.   [OMP_LIB]
USE OMP_LIB
----^

sumpara.F(4): error #7002: Error in opening the compiled module file.  Check INCLUDE paths.   [OMP_LIB]
      use omp_lib
----------^
sumpara.F(407): error #6363: The intrinsic data types of the arguments must be the same.   [MAX]
      BUFSIZE=MAX(NKKVL/OMP_GET_NUM_THREADS()+1, 1000)
-------------------------------------------------^
Three errors still exists in compile.msg.

It seems that we need omp_lib.module. What is that? And how can we get it?

Best wishes!

----- 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 6:16:24
主题: Re: [Wien] WIen2k install using Oneapi

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 < [ mailto:harriron at sjtu.edu.cn | 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" < [ mailto:nestoklon at gmail.com | nestoklon at gmail.com ] > 
收件人: "A Mailing list for WIEN2k users" < [ mailto:wien at zeus.theochem.tuwien.ac.at | 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: [ mailto:harriron at sjtu.edu.cn | harriron at sjtu.edu.cn ] | [ 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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