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Install OpenMX with GCC 10
Date: 2020/10/26 19:36
Name: Naoya Yamaguchi

Dear all,

I share information of installation of OpenMX with GCC 10 because recently, I consumed some time when I installed it on new computer that didn't have GCC 9, as you may know.

1. To avoid errors like
elpa1.f90:3345:62:

3345 | 2*n-1, 2*na, nblk, 2*nblk)
| 1
Error: Type mismatch in argument evmat_sf at (1); passed COMPLEX(8) to REAL(8)
, you can add "-fallow-argument-mismatch" to "FC", and then the error changes a warning.
elpa1.f90:3345:62:

3345 | 2*n-1, 2*na, nblk, 2*nblk)
| 1
Warning: Type mismatch in argument evmat_sf at (1); passed COMPLEX(8) to REAL(8)

2. To avoid errors about "multiple definition" of global variables:
openmx_common.o:(.bss+0x44fe8): multiple definition of `ratv'
openmx.o:(.bss+0x45d48): first defined here
, you can add "-fcommon" to "CC".

3. Intel MPI
When I used Intel MPI (2019.5.281 or 2020.2.254), I encountered the following error.
f951: Fatal Error: Reading modulee(omission)/compilers_and_libraries_2019.5.281/linux/mpi/intel64/include/mpi.modf at line 1 column 2: Unexpected EOF compilation terminated.
make: *** [makefile:968: elpa1_compute_real.o] Error 1
I thought that binding between Intel MPI and GCC 10 was wrong, so I used
.../compilers_and_libraries_2019.5.281/linux/mpi/binding/intel-mpi-binding-kit.tar.gz
and solved it by preparing new "mpicc" and "mpif90" including "mpi.mod" with the binding kit.

The third error might be a problem of the system, but the first and second problems are common.
And, you can find more information about the first and second ones from https://gcc.gnu.org/gcc-10/changes.html

Best regards,
Naoya Yamaguchi
e
Page: [1]

Re: Install OpenMX with GCC 10 ( No.1 )
Date: 2020/10/27 14:02
Name: Naoya Yamaguchi

About 3., just adding -I${I_MPI_ROOT}/intel64/include/gfortran/9.1.0 was also a solution.

Regards,
Naoya Yamaguchi
e

Page: [1]

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