[CP2K-user] [CP2K:19585] Re: Error: Parameter ‘mpi_comm_null’ at (1) has not been declared

[Mikhail Povarnitsyn]

 Dear Frederick,

Thank you very much for the reply!

1) Yes, I mean OpenMPI 3.1.6.

2) 'local.psmp' file is attached, hope that is what you asked for.

3) Yes, I did the command  'source 
/beegfs/desy/user/vlipp/cp2k-2023.2/tools/toolchain/install/setup' after 
the toolchain.

4)  mpifort --version
GNU Fortran (GCC) 9.3.0
Copyright (C) 2019 Free Software Foundation, Inc.
This is free software; see the source for copying conditions.  There is NO
warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.

Best regards,
Mikhail



On Tuesday, November 28, 2023 at 1:08:25 PM UTC+1 Frederick Stein wrote:

Dear Mikhail,

I suppose you mean OpenMPI 3.1.6 (MPI is just the standard defining an 
interface for parallel programming). Could you post your arch file of the 
parallel build? Did you source the setup file after the toolchain script 
finished? Could you also post the output of `mpifort --version`?

Best,
Frederick

Mikhail Povarnitsyn schrieb am Dienstag, 28. November 2023 um 11:06:14 
UTC+1:

Dear Developers and Users,

I am attempting to install the latest version, 2023.2, using the GNU 
compiler (gcc 9.3.0) along with MPI 3.1.6. I employed the toolchain script 
as follows: './install_cp2k_toolchain.sh'.

The serial version 'ssmp' has been successfully compiled. However, the 
compilation of the parallel version 'psmp' failed with the following error: 

/user/povar/cp2k-2023.2/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F:106:53:

  106 |    MPI_COMM_TYPE, PARAMETER :: mp_comm_null_handle = MPI_COMM_NULL
      |                                                     1
Error: Parameter ‘mpi_comm_null’ at (1) has not been declared or is a 
variable, which does not reduce to a constant expression
/user/povar/cp2k-2023.2/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F:107:53:

  107 |    MPI_COMM_TYPE, PARAMETER :: mp_comm_self_handle = MPI_COMM_SELF
      |                                                     1
Error: Parameter ‘mpi_comm_self’ at (1) has not been declared or is a 
variable, which does not reduce to a constant expression
/user/povar/cp2k-2023.2/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F:108:54:

  108 |    MPI_COMM_TYPE, PARAMETER :: mp_comm_world_handle = MPI_COMM_WORLD

and other similar errors. 

Could you please help?

Best regards
Mikhail

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