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

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Thu, 03/21/2024 - 15:14

koudzo

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Joined: 03/21/2024 - 08:45

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

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:

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:

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:

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:

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:

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:

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:

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:

Please help me to understand this issue.

Best regards,

Mon, 03/25/2024 - 13:49

AdminNeale

Offline

Joined: 03/01/2013 - 14:09

Wrong OpenMx, you need OpenMX

Hi this is the site for the statistical modeling software, not the materials science software, which is https://www.openmx-square.org I don't know if they have a forum too but I hope so, and wish you luck with your compilation.

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