[CP2K-user] [CP2K:19582] Error: Parameter ‘mpi_comm_null’ at (1) has not been declared

Mikhail Povarnitsyn povarnitsynme at gmail.com
Tue Nov 28 10:06:14 UTC 2023



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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