Yambo 4.2.1, ompi_mpi_comm_world error

Having trouble compiling the Yambo source? Using an unusual architecture? Problems with the "configure" script? This is the place to look.

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If you have trouble compiling Yambo, please make sure to list:
(1) the compiler (vendor and release: e.g. intel 10.1)
(2) the architecture (e.g. 64-bit IBM SP5)
(3) if the problems occur compiling in serial/in parallel
(4) the version of Yambo (revision number/major release version)
(5) the relevant compiler error message

Re: Yambo 4.2.1, ompi_mpi_comm_world error

Postby Daniele Varsano » Tue Mar 06, 2018 5:10 pm

Dear Fabio,
set FC to ifort and not mpiifort.

Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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Re: Yambo 4.2.1, ompi_mpi_comm_world error

Postby Fabiof » Tue Mar 06, 2018 5:24 pm

Dear Daniele,

I changed it, FC = ifort

Code: Select all
MPIFC='mpif90' CPP='icc -E' CC='icc' MPICC='mpiicc'  F77='ifort' FC='ifort'


I get the error:

checking for dummy main to link with Fortran 77 libraries... unknown
configure: error: in `/home/fabiof/bin/yambo-4.2.1':
configure: error: linking to Fortran libraries from C fails

When I check the config log, I see FC='mpif90' and F77='mpif90'. Is that right?
Fábio Ferreira, Graduate Student
University of Minho, Portugal
Fabiof
 
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Re: Yambo 4.2.1, ompi_mpi_comm_world error

Postby Daniele Varsano » Tue Mar 06, 2018 5:35 pm

Dear Fabio,
you can try the following:

1) check if mpif90 link to intel compilers, just type mpif90 --version or similar.
2) if QE do works with your mpirun, can you check which compilers and wrappers were used?
3) specify the precompiler only CPP='icc -E' and see if the configure does the right job, even if I presume mpiifort will be used.
4) specify MPIFC='mpif90' only.
5) Try a compilation with gfortran instead than intel, in case you have gfortran installed.

Do not have much more more solution.

Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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Re: Yambo 4.2.1, ompi_mpi_comm_world error

Postby Fabiof » Tue Mar 06, 2018 6:07 pm

Dear Daniele,


1) Yes it links to intel compilers (ifort).
2) QE is using the mpif90 which links to ifort.
3) To be tested.
4) It works now. I can run yambo in parallel mode. :)

Thank you,

Fabio
Fábio Ferreira, Graduate Student
University of Minho, Portugal
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Re: Yambo 4.2.1, ompi_mpi_comm_world error

Postby Daniele Varsano » Tue Mar 06, 2018 6:36 pm

Great!!

Enjoy the yambo experience,

Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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