An error occurred when the fedora linux system installed openmx:In file included from openmx.c:67: o

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An error occurred when the fedora linux system installed openmx:In file included from openmx.c:67: o

Date: 2023/04/28 11:11
Name: C <xx1464903098@qq.com>: Dear Openmx developers/users,

I am trying to install OpenMx 3.9 version on Fedora 33 (Workstation Edition).

I am compiling using this Intel Compilers and MKL Library（see installation manual https://www.openmx-square.org/tech_notes/OpenMX-Compile.pdf）,Before installing, I also deliberately checked whether there is an Intel compiler in the computer，“which icc”,"which icpc"and"which ifort"，Also, I made sure I have MKL in my computer.

This is the content of my makefile：

CC = mpicc -O3 -openmp -I/home/hualong/intel/oneapi/mkl/2021.1.1/include/fftw -I/home/hualong/intel/oneapi/mkl/2022.0.2/include
FC = mpiifort -O3 -I/home/hualong/intel/oneapi/mkl/2022.0.2/include
LIB= -I/home/hualong/intel/oneapi/mkl/2021.1.1/include/fftw -lfftw3 -I/home/hualong/intel/oneapi/mkl/2022.0.2/lib/intel64 -lmkl_intel_lp64 -lmkl_intel_thread lmkl_core -I/home/hualong/goodjob/matlab/sys/tcc/linux32/lib -lpthread -I/home/hualong/intel/oneapi/compiler/2022.1.0/linux/compiler/lib/intel64_lin -lifcore

After I "make install", there will be such warnings and errors:

make install
mpicc -O3 -openmp -I/home/hualong/intel/oneapi/mkl/2021.1.1/include/fftw -I/home/hualong/intel/oneapi/mkl/2022.0.2/include -I./elpa-2018.05.001 -c openmx.c
In file included from openmx.c:67:
openmx_common.h:3559:13: 警告：内联函数‘Spherical_Bessel’声明过但从未定义
3559 | inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ) ;
| ^~~~~~~~~~~~~~~~
mpicc -O3 -openmp -I/home/hualong/intel/oneapi/mkl/2021.1.1/include/fftw -I/home/hualong/intel/oneapi/mkl/2022.0.2/include -I./elpa-2018.05.001 -c openmx_common.c
In file included from openmx_common.c:19:
openmx_common.h:3559:13: 警告：内联函数‘Spherical_Bessel’声明过但从未定义
3559 | inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ) ;
| ^~~~~~~~~~~~~~~~
mpicc -O3 -openmp -I/home/hualong/intel/oneapi/mkl/2021.1.1/include/fftw -I/home/hualong/intel/oneapi/mkl/2022.0.2/include -I./elpa-2018.05.001 -c Input_std.c
In file included from Input_std.c:6:
openmx_common.h:3559:13: 警告：内联函数‘Spherical_Bessel’声明过但从未定义
3559 | inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ) ;
| ^~~~~~~~~~~~~~~~
mpicc -O3 -openmp -I/home/hualong/intel/oneapi/mkl/2021.1.1/include/fftw -I/home/hualong/intel/oneapi/mkl/2022.0.2/include -I./elpa-2018.05.001 -c Inputtools.c
mpicc -O3 -openmp -I/home/hualong/intel/oneapi/mkl/2021.1.1/include/fftw -I/home/hualong/intel/oneapi/mkl/2022.0.2/include -I./elpa-2018.05.001 -c init.c
In file included from init.c:17:
openmx_common.h:3559:13: 警告：内联函数‘Spherical_Bessel’声明过但从未定义
3559 | inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ) ;
| ^~~~~~~~~~~~~~~~
mpicc -O3 -openmp -I/home/hualong/intel/oneapi/mkl/2021.1.1/include/fftw -I/home/hualong/intel/oneapi/mkl/2022.0.2/include -I./elpa-2018.05.001 -c LU_inverse.c
In file included from LU_inverse.c:16:
openmx_common.h:3559:13: 警告：内联函数‘Spherical_Bessel’声明过但从未定义
3559 | inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ) ;
| ^~~~~~~~~~~~~~~~
mpicc -O3 -openmp -I/home/hualong/intel/oneapi/mkl/2021.1.1/include/fftw -I/home/hualong/intel/oneapi/mkl/2022.0.2/include -I./elpa-2018.05.001 -c ReLU_inverse.c
In file included from ReLU_inverse.c:16:
openmx_common.h:3559:13: 警告：内联函数‘Spherical_Bessel’声明过但从未定义
3559 | inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ) ;
| ^~~~~~~~~~~~~~~~
mpicc -O3 -openmp -I/home/hualong/intel/oneapi/mkl/2021.1.1/include/fftw -I/home/hualong/intel/oneapi/mkl/2022.0.2/include -I./elpa-2018.05.001 -c truncation.c
In file included from truncation.c:18:
openmx_common.h:3559:13: 警告：内联函数‘Spherical_Bessel’声明过但从未定义
3559 | inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ) ;
| ^~~~~~~~~~~~~~~~
mpicc -O3 -openmp -I/home/hualong/intel/oneapi/mkl/2021.1.1/include/fftw -I/home/hualong/intel/oneapi/mkl/2022.0.2/include -I./elpa-2018.05.001 -c readfile.c
In file included from readfile.c:16:
......
mpicc -O3 -openmp -I/home/hualong/intel/oneapi/mkl/2021.1.1/include/fftw -I/home/hualong/intel/oneapi/mkl/2022.0.2/include -I./elpa-2018.05.001 -c Overlap_Cluster_Ss.c
In file included from Overlap_Cluster_Ss.c:17:
openmx_common.h:3559:13: 警告：内联函数‘Spherical_Bessel’声明过但从未定义
3559 | inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ) ;
| ^~~~~~~~~~~~~~~~
mpicc -O3 -openmp -I/home/hualong/intel/oneapi/mkl/2021.1.1/include/fftw -I/home/hualong/intel/oneapi/mkl/2022.0.2/include -I./elpa-2018.05.001 -c Set_ContMat_Cluster_LNO.c
In file included from Set_ContMat_Cluster_LNO.c:17:
openmx_common.h:3559:13: 警告：内联函数‘Spherical_Bessel’声明过但从未定义
3559 | inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ) ;
| ^~~~~~~~~~~~~~~~
mpicc -O3 -openmp -I/home/hualong/intel/oneapi/mkl/2021.1.1/include/fftw -I/home/hualong/intel/oneapi/mkl/2022.0.2/include -I./elpa-2018.05.001 -c Hamiltonian_Band.c
In file included from Hamiltonian_Band.c:16:
openmx_common.h:3559:13: 警告：内联函数‘Spherical_Bessel’声明过但从未定义
3559 | inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ) ;
| ^~~~~~~~~~~~~~~~
mpicc -O3 -openmp -I/home/hualong/intel/oneapi/mkl/2021.1.1/include/fftw -I/home/hualong/intel/oneapi/mkl/2022.0.2/include -I./elpa-2018.05.001 -c Matrix_Band_LNO.c
In file included from Matrix_Band_LNO.c:16:
openmx_common.h:3559:13: 警告：内联函数‘Spherical_Bessel’声明过但从未定义
3559 | inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ) ;
| ^~~~~~~~~~~~~~~~
mpicc -O3 -openmp -I/home/hualong/intel/oneapi/mkl/2021.1.1/include/fftw -I/home/hualong/intel/oneapi/mkl/2022.0.2/include -I./elpa-2018.05.001 -c Overlap_Band.c
In file included from Overlap_Band.c:16:
openmx_common.h:3559:13: 警告：内联函数‘Spherical_Bessel’声明过但从未定义
3559 | inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ) ;
| ^~~~~~~~~~~~~~~~
mpicc -O3 -openmp -I/home/hualong/intel/oneapi/mkl/2021.1.1/include/fftw -I/home/hualong/intel/oneapi/mkl/2022.0.2/include -I./elpa-2018.05.001 -c Hamiltonian_Cluster_NC.c
In file included from Hamiltonian_Cluster_NC.c:16:
openmx_common.h:3559:13: 警告：内联函数‘Spherical_Bessel’声明过但从未定义
3559 | inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ) ;
| ^~~~~~~~~~~~~~~~
mpicc -O3 -openmp -I/home/hualong/intel/oneapi/mkl/2021.1.1/include/fftw -I/home/hualong/intel/oneapi/mkl/2022.0.2/include -I./elpa-2018.05.001 -c Hamiltonian_Band_NC.c
In file included from Hamiltonian_Band_NC.c:16:
openmx_common.h:3559:13: 警告：内联函数‘Spherical_Bessel’声明过但从未定义
3559 | inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ) ;
.....
mpicc -O3 -openmp -I/home/hualong/intel/oneapi/mkl/2021.1.1/include/fftw -I/home/hualong/intel/oneapi/mkl/2022.0.2/include -I./elpa-2018.05.001 -c DFT.c
DFT.c: 在函数‘DFT’中:
DFT.c:1960:7: 警告：隐式声明函数‘strstr’ [-Wimplicit-function-declaration]
1960 | if (strstr(nanchar,"nan")!=NULL || strstr(nanchar,"NaN")!=NULL
| ^~~~~~
DFT.c:1960:7: 警告：隐式声明与内建函数‘strstr’不兼容
DFT.c:21:1: 附注：include ‘<string.h>’ or provide a declaration of ‘strstr’
20 | #include "tran_prototypes.h"
+++ |+#include <string.h>
21 |
DFT.c:1975:7: 警告：隐式声明与内建函数‘strstr’不兼容
1975 | if (strstr(nanchar,"nan")!=NULL || strstr(nanchar,"NaN")!=NULL
| ^~~~~~
DFT.c:1975:7: 附注：include ‘<string.h>’ or provide a declaration of ‘strstr’
DFT.c: 在函数‘Allocate_Free_Band_Col’中:
DFT.c:2522:15: 警告：隐式声明函数‘numroc_’ [-Wimplicit-function-declaration]
2522 | na_rows = numroc_(&n, &nblk, &my_prow, &ZERO, &np_rows);
| ^~~~~~~
......
In file included from TRAN_Channel_Output.c:17:
TRAN_Channel_Output.c: 在文件作用域：
openmx_common.h:3559:13: 警告：内联函数‘Spherical_Bessel’声明过但从未定义
3559 | inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ) ;
| ^~~~~~~~~~~~~~~~
mpicc -O3 -openmp -I/home/hualong/intel/oneapi/mkl/2021.1.1/include/fftw -I/home/hualong/intel/oneapi/mkl/2022.0.2/include -I./elpa-2018.05.001 -c TRAN_Calc_CurrentDensity.c
mpicc -O3 -openmp -I/home/hualong/intel/oneapi/mkl/2021.1.1/include/fftw -I/home/hualong/intel/oneapi/mkl/2022.0.2/include -I./elpa-2018.05.001 -c TRAN_CDen_Main.c
TRAN_CDen_Main.c: 在函数‘TRAN_Current_OutPutCube’中:
TRAN_CDen_Main.c:826:11: 警告：隐式声明函数‘fsync’ [-Wimplicit-function-declaration]
826 | fsync(fd);
| ^~~~~
In file included from TRAN_CDen_Main.c:6:
TRAN_CDen_Main.c: 在文件作用域：
openmx_common.h:3559:13: 警告：内联函数‘Spherical_Bessel’声明过但从未定义
3559 | inline void Spherical_Bessel( double x, int lmax, double *sb, double *dsb ) ;
| ^~~~~~~~~~~~~~~~
mpiifort -O3 -I/home/hualong/intel/oneapi/mkl/2022.0.2/include -I./elpa-2018.05.001 -c elpa1.f90
make: mpiifort: 没有那个文件或目录
make: *** [makefile:982：elpa1.o] 错误 127

Could you please help me in this regards? any help will be appreciated.

Thanks.

Best regards,

C

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Re: An error occurred when the fedora linux system installed openmx:In file included from openmx.c:67: o ( No.1 )

Date: 2023/04/28 11:47
Name: Naoya Yamaguchi

Hi,

The installation stopped because of the missing `mpiifort`.
You need to check the environment of your computer again.

Regards,
Naoya Yamaguchi

Page: [1]