Mpi installation and fortran compiler mismatch

Travis polla... at gmail.com
Wed Aug 29 20:32:49 CEST 2018


The format of module files produced by different Fortran compilers changes 
pretty rapidly and the MPI .mod files may be unreadable by the version of 
Fortran you are now using to compile CP2K. As the warning message implies, 
you need to add '-D__HAS_NO_MPI_MOD' to your arch file along with your 
other DFLAGS to resolve the conflict.

More on that here, https://www.tcm.phy.cam.ac.uk/sw/gfortran.html

I think Alfio is correct that you can ignore it if the compilation runs 
correctly otherwise and generates a functioning executable. However, if you 
see this warning and your compilation is breaking... it may be something to 
consider.


On Tuesday, August 28, 2018 at 6:40:58 AM UTC-4, zuoh... at gmail.com wrote:

> Hello everyone,
>
> When I compile my CP2K, I have the following Warning(or error?):
>
> USE mpi  ! compiler *errors* mean mpi installation and fortran compiler 
> mismatch: see INSTALL (-D__HAS_NO_MPI_MOD)
> Warning: USE statement at (1) has no ONLY qualifier [-Wuse-without-only]
>
> However, I could finish the compile and can use cp2k.popt or cp2k.psmp to 
> do simulations. I am not sure if it will have some negtive effect on the 
> speed of simulation.
> I installed some dependence with tools/toolchain/install_cp2k_toolchain.sh 
> and all is OK. I don't know why the mpi and fortran are mismatched.
>
> Thank you very much.
>
> Best wishes,
>
> Zuoheng
>
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