installation problem of OpenMX3.9 and patch3.9.9 in Ubuntu 22.04

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installation problem of OpenMX3.9 and patch3.9.9 in Ubuntu 22.04

Date: 2024/03/26 05:14
Name: Koudzo <koudzojacquesk@gmail.com>: Hi,

I am trying to install the openMX3.9 + patch3.9.9 in my Ubuntu machine (22.04)

I got an error as below:

mpif90 -O3 -fopenmp -I./elpa-2018.05.001 -c elpa1.f90
/opt/intel/oneapi/mpi/2021.3.0/bin/mpif90: 729: [: Illegal number:
elpa1.f90:3345:62:

3345 | 2*n-1, 2*na, nblk, 2*nblk)
| 1
Error: Type mismatch in argument 'vmat_s' at (1); passed COMPLEX(8) to REAL(8)
elpa1.f90:3345:62:

3345 | 2*n-1, 2*na, nblk, 2*nblk)
| 1
Error: Type mismatch in argument 'vmat_t' at (1); passed COMPLEX(8) to REAL(8)
elpa1.f90:3157:24:

3157 | call MPI_Bcast(tmp1,nb*(nb+1)/2,MPI_REAL8,pcol(n),mpi_comm_cols,mpierr)
| 1
......
3468 | call MPI_Bcast(tmp1,nb*(nb+1)/2,MPI_DOUBLE_COMPLEX,pcol(n),mpi_comm_cols,mpierr)
| 2
Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)).
elpa1.f90:3180:27:

3180 | call MPI_Bcast(tmat1(1,i),l_row1-1,MPI_REAL8,pcol(n),mpi_comm_cols,mpierr)
| 1
......
3468 | call MPI_Bcast(tmp1,nb*(nb+1)/2,MPI_DOUBLE_COMPLEX,pcol(n),mpi_comm_cols,mpierr)
| 2
Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)).
elpa1.f90:3185:24:

3185 | call MPI_Bcast(tmat2(1,l_col1),(l_cols-l_col1+1)*nblk,MPI_REAL8,prow(n),mpi_comm_rows,mpierr)
| 1
......
3468 | call MPI_Bcast(tmp1,nb*(nb+1)/2,MPI_DOUBLE_COMPLEX,pcol(n),mpi_comm_cols,mpierr)
| 2
Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)).
elpa1.f90:3012:24:

3012 | call MPI_Bcast(tmp1,nblk*(nblk+1)/2,MPI_REAL8,pcol(n),mpi_comm_cols,mpierr)
| 1
......
3468 | call MPI_Bcast(tmp1,nb*(nb+1)/2,MPI_DOUBLE_COMPLEX,pcol(n),mpi_comm_cols,mpierr)
| 2
Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)).
elpa1.f90:3029:27:

3029 | call MPI_Bcast(tmatc(l_colx,i),l_cols-l_colx+1,MPI_REAL8,prow(n),mpi_comm_rows,mpierr)
| 1
......
3468 | call MPI_Bcast(tmp1,nb*(nb+1)/2,MPI_DOUBLE_COMPLEX,pcol(n),mpi_comm_cols,mpierr)
| 2
Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)).
elpa1.f90:1728:24:

1728 | call MPI_Bcast(d(noff+1),nlen,MPI_REAL8,np,mpi_comm_rows,mpierr)
| 1
......
3468 | call MPI_Bcast(tmp1,nb*(nb+1)/2,MPI_DOUBLE_COMPLEX,pcol(n),mpi_comm_cols,mpierr)
| 2
Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)).
elpa1.f90:1730:24:

1730 | call MPI_Bcast(qmat2,max_size*max_size,MPI_REAL8,np,mpi_comm_rows,mpierr)
| 1
......
3468 | call MPI_Bcast(tmp1,nb*(nb+1)/2,MPI_DOUBLE_COMPLEX,pcol(n),mpi_comm_cols,mpierr)
| 2
Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)).
elpa1.f90:1182:37:

1182 | if(nc>0) call mpi_allreduce(h1,h2,nc,MPI_DOUBLE_COMPLEX,MPI_SUM,mpi_comm_rows,mpierr)
| 1
......
2596 | call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr)
| 2
Error: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)).
elpa1.f90:1182:40:

1182 | if(nc>0) call mpi_allreduce(h1,h2,nc,MPI_DOUBLE_COMPLEX,MPI_SUM,mpi_comm_rows,mpierr)
| 1
......
2596 | call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr)
| 2
Error: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)).
elpa1.f90:1203:28:

1203 | call mpi_allreduce(tmp1,tmp2,nstor*l_cols,MPI_DOUBLE_COMPLEX,MPI_SUM,mpi_comm_rows,mpierr)
| 1
......
2596 | call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr)
| 2
Error: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)).
elpa1.f90:1203:33:

1203 | call mpi_allreduce(tmp1,tmp2,nstor*l_cols,MPI_DOUBLE_COMPLEX,MPI_SUM,mpi_comm_rows,mpierr)
| 1
......
2596 | call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr)
| 2
Error: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)).
elpa1.f90:873:28:

873 | call mpi_allreduce(aux1,aux2,2,MPI_DOUBLE_COMPLEX,MPI_SUM,mpi_comm_rows,mpierr)
| 1
......
2596 | call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr)
| 2
Error: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)).
elpa1.f90:873:33:

873 | call mpi_allreduce(aux1,aux2,2,MPI_DOUBLE_COMPLEX,MPI_SUM,mpi_comm_rows,mpierr)
| 1
......
2596 | call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr)
| 2
Error: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)).
elpa1.f90:903:62:

903 | 1, 2*(istep-1), 1, 2*nblk)
| 1
Error: Type mismatch in argument 'vmat_s' at (1); passed COMPLEX(8) to REAL(8)
elpa1.f90:903:62:

903 | 1, 2*(istep-1), 1, 2*nblk)
| 1
Error: Type mismatch in argument 'vmat_t' at (1); passed COMPLEX(8) to REAL(8)
elpa1.f90:942:63:

942 | 2*(istep-1), 1, 2*nblk)
| 1
Error: Type mismatch in argument 'vmat_s' at (1); passed COMPLEX(8) to REAL(8)
elpa1.f90:942:63:

942 | 2*(istep-1), 1, 2*nblk)
| 1
Error: Type mismatch in argument 'vmat_t' at (1); passed COMPLEX(8) to REAL(8)
elpa1.f90:949:28:

949 | call mpi_allreduce(tmp,uc,l_cols,MPI_DOUBLE_COMPLEX,MPI_SUM,mpi_comm_rows,mpierr)
| 1
......
2596 | call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr)
| 2
Error: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)).
elpa1.f90:949:32:

949 | call mpi_allreduce(tmp,uc,l_cols,MPI_DOUBLE_COMPLEX,MPI_SUM,mpi_comm_rows,mpierr)
| 1
......
2596 | call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr)
| 2
Error: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)).
elpa1.f90:954:62:

954 | 1, 2*(istep-1), 1, 2*nblk)
| 1
Error: Type mismatch in argument 'vmat_s' at (1); passed COMPLEX(8) to REAL(8)
elpa1.f90:954:62:

954 | 1, 2*(istep-1), 1, 2*nblk)
| 1
Error: Type mismatch in argument 'vmat_t' at (1); passed COMPLEX(8) to REAL(8)
elpa1.f90:960:25:

960 | call mpi_allreduce(xc,vav,1,MPI_DOUBLE_COMPLEX,MPI_SUM,mpi_comm_cols,mpierr)
| 1
......
2596 | call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr)
| 2
Error: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)).
elpa1.f90:960:28:

960 | call mpi_allreduce(xc,vav,1,MPI_DOUBLE_COMPLEX,MPI_SUM,mpi_comm_cols,mpierr)
| 1
......
2596 | call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr)
| 2
Error: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)).
elpa1.f90:676:24:

676 | call MPI_Bcast(aux_bc,n_aux_bc,MPI_REAL8,np_bc,mpi_comm_cols,mpierr)
| 1
......
3468 | call MPI_Bcast(tmp1,nb*(nb+1)/2,MPI_DOUBLE_COMPLEX,pcol(n),mpi_comm_cols,mpierr)
| 2
Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)).
elpa1.f90:717:31:

717 | call mpi_reduce(tmp1,tmp2,nstor*(lce-lcs+1),MPI_REAL8,MPI_SUM,np,mpi_comm_rows,mpierr)
| 1
......
1413 | call mpi_reduce(tmp1,tmp2,nstor*(lce-lcs+1),MPI_DOUBLE_COMPLEX,MPI_SUM,np,mpi_comm_rows,mpierr)
| 2
Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)).
elpa1.f90:717:36:

717 | call mpi_reduce(tmp1,tmp2,nstor*(lce-lcs+1),MPI_REAL8,MPI_SUM,np,mpi_comm_rows,mpierr)
| 1
......
1413 | call mpi_reduce(tmp1,tmp2,nstor*(lce-lcs+1),MPI_DOUBLE_COMPLEX,MPI_SUM,np,mpi_comm_rows,mpierr)
| 2
Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)).
elpa1.f90:460:24:

460 | call MPI_Bcast(hvb,nb,MPI_REAL8,cur_pcol,mpi_comm_cols,mpierr)
| 1
......
3468 | call MPI_Bcast(tmp1,nb*(nb+1)/2,MPI_DOUBLE_COMPLEX,pcol(n),mpi_comm_cols,mpierr)
| 2
Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)).
elpa1.f90:217:21:

217 | call MPI_Bcast(vr,l_rows+1,MPI_REAL8,pcol(istep),mpi_comm_cols,mpierr)
| 1
......
3468 | call MPI_Bcast(tmp1,nb*(nb+1)/2,MPI_DOUBLE_COMPLEX,pcol(n),mpi_comm_cols,mpierr)
| 2
Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)).
elpa1.f90:282:25:

282 | call mpi_allreduce(x,vav,1,MPI_REAL8,MPI_SUM,mpi_comm_cols,mpierr)
| 1
......
2596 | call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr)
| 2
Error: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar)
elpa1.f90:282:27:

282 | call mpi_allreduce(x,vav,1,MPI_REAL8,MPI_SUM,mpi_comm_cols,mpierr)
| 1
......
2596 | call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr)
| 2
Error: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar)
elpa1.f90:3714:24:

3468 | call MPI_Bcast(tmp1,nb*(nb+1)/2,MPI_DOUBLE_COMPLEX,pcol(n),mpi_comm_cols,mpierr)
| 2
......
3714 | call MPI_Bcast(aux,nblks_comm*nblk*nvc,MPI_REAL8,ips,comm_s,mpierr)
| 1
Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)).
elpa1.f90:3810:33:

1413 | call mpi_reduce(tmp1,tmp2,nstor*(lce-lcs+1),MPI_DOUBLE_COMPLEX,MPI_SUM,np,mpi_comm_rows,mpierr)
| 2
......
3810 | if(k>0) call mpi_reduce(aux1,aux2,k,MPI_REAL8,MPI_SUM,ipt,comm_t,mpierr)
| 1
Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)).
elpa1.f90:3810:38:

1413 | call mpi_reduce(tmp1,tmp2,nstor*(lce-lcs+1),MPI_DOUBLE_COMPLEX,MPI_SUM,np,mpi_comm_rows,mpierr)
| 2
......
3810 | if(k>0) call mpi_reduce(aux1,aux2,k,MPI_REAL8,MPI_SUM,ipt,comm_t,mpierr)
| 1
Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)).
make: *** [makefile:949: elpa1.o] Error 1

Please help me to understand this issue.

Best regards,

Page: [1]

Re: installation problem of OpenMX3.9 and patch3.9.9 in Ubuntu 22.04 ( No.1 )

Date: 2024/03/26 12:16
Name: Naoya Yamaguchi

Hi,

Please refer to https://www.openmx-square.org/forum/patio.cgi?mode=view&no=3214 .

Regards,
Naoya Yamaguchi

Re: installation problem of OpenMX3.9 and patch3.9.9 in Ubuntu 22.04 ( No.2 )

Date: 2024/03/26 18:08
Name: Koudzo <koudzojacquesk@gmail.com>

Hi,

Thank you for your answer.

I can't download the HPC Kit (l_HPCKit_p_2021.3.0.3230_offline.sh) from the Intel website with the link: https://registrationcenter-download.intel.com/akdlm/irc_nas/17912/l_HPCKit_p_2021.3.0.3230_offline.sh

Re: installation problem of OpenMX3.9 and patch3.9.9 in Ubuntu 22.04 ( No.3 )

Date: 2024/03/26 19:19
Name: Koudzo <koudzojacquesk@gmail.com>

Hi Naoya,

When I tried to compile with the latest oneAPI, modifying "makefile" as follows.

```
CC = mpiicx -O3 -xHOST -qopenmp -fcommon -Wno-error=implicit-function-declaration -Wno-error=implicit-int -I$(MKLROOT)/include/fftw
FC = mpiifx -O3 -xHOST -qopenmp
LIB= -L${MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lmkl_blacs_intelmpi_lp64 -liomp5 -lpthread -lifcore -lm -ldl
```

Here is what I get as an error:

"mpiifx -O3 -xHOST -qopenmp -I./elpa-2018.05.001 -c ./elpa-2018.05.001/mod_precision.F90
mpiifx -O3 -xHOST -qopenmp -I./elpa-2018.05.001 -c ./elpa-2018.05.001/elpa_utilities.F90
mpiifx -O3 -xHOST -qopenmp -I./elpa-2018.05.001 -c ./elpa-2018.05.001/elpa1_compute_real.F90
precision_macros.h(62): #warning: keyword redefined: PRECISION
./elpa-2018.05.001/elpa1_compute_real.F90(57): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [MPI]
use mpi
------^
./elpa-2018.05.001/elpa_transpose_vectors.F90(82): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [MPI]
use mpi
-------^
./elpa-2018.05.001/elpa_reduce_add_vectors.F90(79): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [MPI]
use mpi
-------^
./elpa-2018.05.001/elpa_transpose_vectors.F90(160): error #6404: This name does not have a type, and must have an explicit type. [MPI_REAL8]
MPI_REAL8, &
-----------------------^
./elpa-2018.05.001/elpa_reduce_add_vectors.F90(157): error #6404: This name does not have a type, and must have an explicit type. [MPI_SUM]
MPI_SUM, ipt, comm_t, mpierr)
----------------------------------^
./elpa-2018.05.001/elpa1_solve_tridi_real_template.F90(282): error #6404: This name does not have a type, and must have an explicit type. [MPI_REAL8]
call mpi_send(d(noff+1), nmid, MPI_REAL8, n, 1, mpi_comm_cols, mpierr)
----------------------------------------------^
./elpa-2018.05.001/elpa1_solve_tridi_real_template.F90(289): error #6404: This name does not have a type, and must have an explicit type. [MPI_STATUS_IGNORE]
call mpi_recv(d(noff+1), nmid, MPI_REAL8, np_off, 1, mpi_comm_cols, MPI_STATUS_IGNORE, mpierr)
---------------------------------------------------------------------------------^
./elpa-2018.05.001/elpa1_solve_tridi_real_template.F90(536): error #6404: This name does not have a type, and must have an explicit type. [MPI_COMM_SELF]
matrixCols, mpi_comm_rows, mpi_comm_self, l_col(noff+1), p_col_i(noff+1), &
----------------------------------------------------------^
./elpa-2018.05.001/elpa1_solve_tridi_real_template.F90(282): error #6404: This name does not have a type, and must have an explicit type. [MPI_REAL8]
call mpi_send(d(noff+1), nmid, MPI_REAL8, n, 1, mpi_comm_cols, mpierr)
----------------------------------------------^
./elpa-2018.05.001/elpa1_solve_tridi_real_template.F90(289): error #6404: This name does not have a type, and must have an explicit type. [MPI_STATUS_IGNORE]
call mpi_recv(d(noff+1), nmid, MPI_REAL8, np_off, 1, mpi_comm_cols, MPI_STATUS_IGNORE, mpierr)
---------------------------------------------------------------------------------^
./elpa-2018.05.001/elpa1_merge_systems_real_template.F90(847): error #6404: This name does not have a type, and must have an explicit type. [MPI_REAL8]
call mpi_send(q(l_rqs,lc1), l_rows, MPI_REAL8, pc2, mod(i,4096), mpi_comm_cols, mpierr)
----------------------------------------------------^
./elpa-2018.05.001/elpa1_merge_systems_real_template.F90(852): error #6404: This name does not have a type, and must have an explicit type. [MPI_STATUS_IGNORE]
call mpi_recv(qtmp(1,nc), l_rows, MPI_REAL8, pc1, mod(i,4096), mpi_comm_cols, MPI_STATUS_IGNORE, mpierr)
--------------------------------------------------------------------------------------------^
./elpa-2018.05.001/elpa1_merge_systems_real_template.F90(908): error #6404: This name does not have a type, and must have an explicit type. [MPI_REAL8]
call mpi_sendrecv(q(l_rqs,lc1), l_rows, MPI_REAL8, pc2, 1, &
------------------------------------------------------^
./elpa-2018.05.001/elpa1_merge_systems_real_template.F90(910): error #6404: This name does not have a type, and must have an explicit type. [MPI_STATUS_IGNORE]
mpi_comm_cols, MPI_STATUS_IGNORE, mpierr)
-----------------------------------------------^
./elpa-2018.05.001/elpa1_merge_systems_real_template.F90(949): error #6404: This name does not have a type, and must have an explicit type. [MPI_REAL8]
call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_SUM, mpi_comm_rows, mpierr)
----------------------------------------^
./elpa-2018.05.001/elpa1_merge_systems_real_template.F90(949): error #6404: This name does not have a type, and must have an explicit type. [MPI_SUM]
call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_SUM, mpi_comm_rows, mpierr)
---------------------------------------------------^
./elpa-2018.05.001/elpa1_merge_systems_real_template.F90(976): error #6404: This name does not have a type, and must have an explicit type. [MPI_STATUS_IGNORE]
mpi_comm_cols, MPI_STATUS_IGNORE, mpierr)
------------------------------------------------------^
./elpa-2018.05.001/elpa1_merge_systems_real_template.F90(1001): error #6404: This name does not have a type, and must have an explicit type. [MPI_REAL8]
call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr)
----------------------------------------^
./elpa-2018.05.001/elpa1_merge_systems_real_template.F90(1001): error #6404: This name does not have a type, and must have an explicit type. [MPI_PROD]
call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr)
---------------------------------------------------^
./elpa-2018.05.001/elpa1_merge_systems_real_template.F90(1028): error #6404: This name does not have a type, and must have an explicit type. [MPI_STATUS_IGNORE]
call mpi_recv(tmp, n, MPI_REAL8, np, 1111, mpi_comm_cols, MPI_STATUS_IGNORE, mpierr)
------------------------------------------------------------------------^
compilation aborted for ./elpa-2018.05.001/elpa1_compute_real.F90 (code 1)
make: *** [makefile:963: elpa1_compute_real.o] Error 1"

What else should I do to resolve the problem?
Thanks in advance.

Re: installation problem of OpenMX3.9 and patch3.9.9 in Ubuntu 22.04 ( No.4 )

Date: 2024/03/27 12:59
Name: Naoya Yamaguchi

Dear Koudzo,

Have you done `make clean` before compiling them?

Regards,
Naoya Yamaguchi

Re: installation problem of OpenMX3.9 and patch3.9.9 in Ubuntu 22.04 ( No.5 )

Date: 2024/03/28 17:27
Name: koudzo

Dear Naoya,

Yes, I always make sure to run `make clean` before compiling to ensure a clean build environment.

Best regards,
Koudzo

Re: installation problem of OpenMX3.9 and patch3.9.9 in Ubuntu 22.04 ( No.6 )

Date: 2024/03/28 20:11
Name: Naoya Yamaguchi

Dear Koudzo,

I reproduced a similar error with your case, and it can be avoided by removing `-j` in executing `make`.
If you added `-j`, can you try removing it?

Regards,
Naoya Yamaguchi

Re: installation problem of OpenMX3.9 and patch3.9.9 in Ubuntu 22.04 ( No.7 )

Date: 2024/03/28 20:20
Name: Naoya Yamaguchi

Dear Koudzo,

Again I read carefully and the following error is caused by not being able to find a file such as `mpi.mod`, so I don't think the previous workaround will solve the problem.

```
error #7002: Error in opening the compiled module file. Check INCLUDE paths. [MPI]
```

In other words, I think some path setting or other in your environment is incorrect, and I recommend that you clean up your environment and start all over again.

Regards,
Naoya Yamaguchi

Re: installation problem of OpenMX3.9 and patch3.9.9 in Ubuntu 22.04 ( No.8 )

Date: 2024/03/28 23:41
Name: koudzo

Dear Naoya,

Thank you for your advice.
I followed your recommendations and performed a complete reset of my environment. However, I'm still encountering an error, albeit a different one from before.

"
-L/opt/intel/oneapi/mkl/2024.1/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lmkl_blacs_intelmpi_lp64 -liomp5 -lpthread -lifcore -lm -ldl -lm -o openmx
/usr/bin/ld: cannot find crtbeginS.o: No such file or directory
icx: error: linker command failed with exit code 1 (use -v to see invocation)
make: *** [makefile:180: openmx] Error 1
"

Re: installation problem of OpenMX3.9 and patch3.9.9 in Ubuntu 22.04 ( No.9 )

Date: 2024/03/29 13:43
Name: Naoya Yamaguchi

Dear Koudzo,

I think the value of some environment variable is corrupted or incorrect.
You don't need to explicitly set `-L/opt/intel/oneapi/mkl/2024.1/lib/intel64`, for example.
Instead, you should use `setvars.sh`.
If that does not solve the problem, a clean install of the OS is recommended.

Regards,
Naoya Yamaguchi

Re: installation problem of OpenMX3.9 and patch3.9.9 in Ubuntu 22.04 ( No.10 )

Date: 2024/03/29 21:22
Name: Hiroyuki Kawai

Dear Koudzo,

I have confirmed that OpenMX does not compile correctly with LLVM based mpiicx and mpiifx, to compile OpenMX correctly use mpiicc instead of mpiicx and mpiifort instead of mpiifx.

Regards,
Hiroyuki Kawai

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