Configuring with NetCDF  [SOLVED]

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mancini
Posts: 40
Joined: Mon Nov 09, 2009 10:56 am

Configuring with NetCDF

Post by mancini » Fri Sep 19, 2014 12:01 pm

Dear all,
I have a problem to build abinit with NetCDF.
I am compiling the version 7.8.2.
The configuration works fine and complation seems ok but at running time I have a crash:
--- !ERROR
message: |
Netcdf Error while closing the OUT.nc file: NetCDF: Not a valid ID
src_file: outvars.F90
src_line: 359
...

I compared file outvars.F90 to older 7.3.1 version file and they are different:
some preprocessor directive conscerning HAVE_TRIO_NETCDF HAVE_TRIO_ETSF_IO

(Test and configuration work very well with 7.3.1 version).

There is a problem or I made a wrong configuration?

Thanks.
Best regard,
Marco

NB: I put here my configuration file
# Config file for ABINIT on PC-reseau O
# with G95 compiler
# =====================================

with_mpi_prefix="/opt/open-mpi/1.8.1/intel_14.0/"

enable_mpi="yes"
enable_mpi_io="yes"

disable_all_plugins="yes"

with_trio_flavor="netcdf"
with_netcdf_incs="-I/opt/netcdf/4.3/intel_14/include"
with_netcdf_libs="-L/opt/netcdf/4.3/intel_14/lib -lnetcdff -lnetcdf"


with_linalg_flavor="mkl"
with_linalg_libs="-L/opt/intel/14.0/mkl/lib/intel64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -liomp5 -lpthread -lm"
with_linalg_incs="-I/opt/intel/14.0/mkl/include/"

with_dft_flavor="none"

enable_gw_dpc="no"
enable_maintainer_checks="no"
Marco Mancini

LUTH, Observatoire de Paris
5, place Jules Janssen
92190 MEUDON - FRANCE

Jordan
Posts: 282
Joined: Tue May 07, 2013 9:47 am

Re: Configuring with NetCDF

Post by Jordan » Mon Sep 22, 2014 4:43 pm

Hi,

I'm not completely sure why you have this message but I would suggest to recompile abinit with both NetCDF and ETSF_IO.
I am pretty convinced it will fix you problem.

Cheers

Jordan

User avatar
pouillon
Posts: 651
Joined: Wed Aug 19, 2009 10:08 am
Location: Spain
Contact:

Re: Configuring with NetCDF  [SOLVED]

Post by pouillon » Tue Sep 23, 2014 11:26 am

NetCDF without ETSF_IO does not currently work in Abinit, due to a developer having left unfinished and untested work in the source code. They always should be used together to guarantee the stability and reliability of file I/O.

In any case, a rewrite will occur in Abinit 8 that will fix this issue once and for all.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain

mancini
Posts: 40
Joined: Mon Nov 09, 2009 10:56 am

Re: Configuring with NetCDF

Post by mancini » Thu Sep 25, 2014 10:13 am

Hello Jordan and Yann,
thanks a lot for your rapid reply.
Best regards,
Marco
Marco Mancini

LUTH, Observatoire de Paris
5, place Jules Janssen
92190 MEUDON - FRANCE

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