problems in configuring Abinit 6.8.1

option, parallelism,...

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DrSingh
Posts: 1
Joined: Wed Jun 29, 2011 8:43 am

problems in configuring Abinit 6.8.1

Post by DrSingh » Wed Jun 29, 2011 9:00 am

Dear Members

I tried to configure Abinit-6.8.1. After I have untar the latest version of Abinit. Following error occurs after configure command

checking for the requested transferable I/O support... netcdf+etsf_io
checking netcdf.h usability... no
checking netcdf.h presence... no
checking for netcdf.h... no
checking for library containing nc_open... no
checking for Fortran module includes... unknown
configure: WARNING: falling back to internal netcdf version
configure: WARNING: ETSF_IO requires missing NetCDF support
configure: WARNING: falling back to internal etsf_io version
checking for the actual transferable I/O support... netcdf-fallback+etsf_io-fallback
checking for the requested timer support... abinit
checking for the actual timer support... abinit
checking for the requested linear algebra support... netlib
checking for library containing zgemm... no
checking for library containing zhpev... no
checking whether we have a serial linear algebra support... no
configure: WARNING: falling back to internal linear algebra libraries
checking whether we have a parallel linear algebra support... no
checking for the actual linear algebra support... netlib-fallback
checking for the requested math support... none
checking for the actual math support... none
checking for the requested FFT support... none
checking for the actual FFT support... none
checking for the requested DFT support... atompaw+bigdft+libxc+wannier90
checking xc.h usability... no
checking xc.h presence... no
checking for xc.h... no
checking xc_funcs.h usability... no
checking xc_funcs.h presence... no
checking for xc_funcs.h... no
checking for library containing xc_func_init... no
checking for Fortran module includes... unknown
configure: WARNING: falling back to internal libxc version
configure: WARNING: AtomPAW recommends missing LibXC support
configure: WARNING: BigDFT requires missing linear algebra support
configure: WARNING: falling back to internal atompaw version
configure: WARNING: BigDFT requires missing LibXC support
configure: WARNING: BigDFT requires missing linear algebra support
configure: WARNING: falling back to internal bigdft version
configure: WARNING: wannier90 requires missing linear algebra support
configure: WARNING: falling back to internal wannier90 version
checking for the actual DFT support... libxc-fallback+atompaw-fallback+bigdft-fallback+wannier90-fallback
configure: using former plugins as a temporary workaround
configure: fallbacks to enable => atompaw bigdft etsf_io libxc linalg netcdf wannier90
checking whether to build atompaw... yes
checking whether to build bigdft... yes
checking whether to build etsf_io... yes
checking whether to build fox... no
checking whether to build libxc... yes
checking whether to build linalg... yes
checking whether to build netcdf... yes
checking whether to build wannier90... yes
configure: using tarball repository /home/guri/.abinit/tarballs
checking for a source tarball of LINALG... yes
checking for md5sum... md5sum
configure: tarball MD5 check succeeded
configure: applying LINALG tricks (vendor: gnu, version: 4.5)
checking whether to enable the LINALG fallback... yes
checking whether to build the LINALG fallback... yes
checking whether to enable the FOX fallback... no
checking whether to build the FOX fallback... no
checking for a source tarball of NETCDF... no
configure: downloading NETCDF - this may take a while
checking availability of NETCDF from URL 1... no
checking availability of NETCDF from URL 2... no
configure: WARNING: could not download NETCDF fallback tarball


When configuring my computer is connected to Internet, couldn't understand why it cannot download. I have also tried to download netcdf-4.1.1.tar.gz from internet separately and put it in the folder tarballs, but with no help. Same problem occurs with earlier versions of Abinit. Any clue to this problem.

Cheers
Dr Singh

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pouillon
Posts: 651
Joined: Wed Aug 19, 2009 10:08 am
Location: Spain
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Re: problems in configuring Abinit 6.8.1

Post by pouillon » Wed Jun 29, 2011 5:11 pm

As shown in the output of configure, this is where you should put the downloaded tarballs:
configure: using tarball repository /home/guri/.abinit/tarballs


Otherwise, there is no reason for the download to fail, except if both wget and curl are not installed on your system, which is extremely rare.

A quick-and-dirty fix would be to disable NetCDF and ETSF_IO:

Code: Select all

../configure --with-trio-flavor="none"
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain

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