ABINIT Discussion Forums

Dear all,

I tried to install 6.6.x (x=1,2), by the following configuration (*):
mkdir tmp-serial && cd tmp-serial && ../configure FC='ifort' CFLAGS=' -g -O3 -funroll-loops -ffast-math ' --disable-mpi --program-suffix="-serial" --prefix="$HOME/hpc" && make && cd src/98_main && make install

but the configuration was unsuccessful with the following message:

(snip)
==============================================================================
=== Connectors / Fallbacks ===
==============================================================================

checking whether MPI is usable... no
checking whether to build MPI code... no
checking whether to activate GPU support... no
checking for the requested transferable I/O support... 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 blas... no
checking for library containing lapack... no
configure: WARNING: falling back to internal linear algebra libraries
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 (cached)
configure: WARNING: falling back to internal libxc version
configure: WARNING: AtomPAW requires missing LibXC 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/mmikami/.abinit/tarballs
checking for a source tarball of LINALG... no
configure: downloading LINALG - this may take a while
checking availability of LINALG from URL 1... no
configure: WARNING: could not download LINALG fallback tarball
configure: error: cannot build Abinit - aborting

This situation was not so changed, with the following configuration (added with --with-dft-flavor="none" --with-trio-flavor="none" --with-linalg-flavor="none"):
mkdir tmp-serial && cd tmp-serial && ../configure FC='ifort' CFLAGS=' -g -O3 -funroll-loops -ffast-math ' --disable-mpi --program-suffix="-serial" --prefix="$HOME/hpc" --with-dft-flavor="none" --with-trio-flavor="none" --with-linalg-flavor="none" && make && cd src/98_main && make install

(snip)
==============================================================================
=== Connectors / Fallbacks ===
==============================================================================

checking whether MPI is usable... no
checking whether to build MPI code... no
checking whether to activate GPU support... no
checking for the requested transferable I/O support... none
checking for the actual transferable I/O support...
checking for the requested timer support... abinit
checking for the actual timer support... abinit
checking for the requested linear algebra support... none
configure: WARNING: falling back to internal linear algebra libraries
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... none
checking for the actual DFT support...
configure: using former plugins as a temporary workaround
configure: fallbacks to enable => linalg
checking whether to build atompaw... no
checking whether to build bigdft... no
checking whether to build etsf_io... no
checking whether to build fox... no
checking whether to build libxc... no
checking whether to build linalg... yes
checking whether to build netcdf... no
checking whether to build wannier90... no
configure: using tarball repository /home/mmikami/.abinit/tarballs
checking for a source tarball of LINALG... no
configure: downloading LINALG - this may take a while
checking availability of LINALG from URL 1... no
configure: WARNING: could not download LINALG fallback tarball
configure: error: cannot build Abinit - aborting

I was wondering why --with-linalg-flavor="none" was not effective.
The computer is not directly linked with the Internet. The configuration (*) was perfect with v.6.4.x for this computer.

I would appreciate your suggestions. Thanks!
Masayoshi

P.S. I will see some of you there next week!

Hello Masayoshi,

Glad to have news from you.

From your configure logs ...

checking for library containing blas... no
checking for library containing lapack... no
configure: WARNING: falling back to internal linear algebra libraries
checking for the actual linear algebra support... netlib-fallback

So configure tries to download the linalg plugin from Abinit home site ... and fails because you're not connected. And adding --with-linalg-flavor=none won't solve the problem: it forces to use the internal linalg that has to be downloaded.

You have several options. I see that you have ifort; it comes with MKL that's a very efficient LAPACK implementation. An other workaround would be to manually download (all) the plugins from http://www.abinit.org/downloads/plug-in-sources - at least http://archives.abinit.org/plugins/lapack-abinit_6.0.tar.gz - and manage to copy the tar.gz files on your system in the ~/.abinit/tarballs/ directory.
If you need assistance on how to enable MKL, tell me the (ifort) version you're using.

Kind regards,

Alain

In the meantime, one simple thing you can do is to copy the tarball which is still in prereqs/linalg/ to ~/.abinit/tarballs/.