[SOLVED] Configure problem about Plug-ins for abinit6.6.1

mazuju · Post by **mazuju** » Fri Mar 25, 2011 10:21 am

hi,
I have some trouble compiling ABINIT 6.6.1 in X86-64 .
Compiler: gnu 4.1;
Mpich version: openmpi 1.4;
System: redhat

Before configuring, I download all the Plug-ins needed for ABINIT6.6, and put them in the directory of "~/.abinit/tarballs/". These Plug-ins are atompaw-3.0.tar.gz, bigdft-1.2.0.2.tar.gz, etsf_io-1.0.3.tar.gz, FoX-4.1.0.tar.gz, lapack-abinit_6.0.tar.gz, libxc-1.0.tar.gz, netcdf-4.1.1.tar.gz and wannier90-1.2.tar.gz.
then, $ ./configure

I got

Code: Select all

 ==============================================================================
 === 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/zjma/.abinit/tarballs
checking for a source tarball of LINALG... yes
configure: tarball MD5 check succeeded
configure: applying LINALG tricks (vendor: gnu, version: 4.1)
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... yes
configure: tarball MD5 check succeeded
configure: applying NetCDF tricks (vendor: gnu, version: 4.1)
checking whether to enable the NETCDF fallback... yes
checking whether to build the NETCDF fallback... yes
checking for a source tarball of ETSF_IO... yes
configure: tarball MD5 check succeeded
configure: applying ETSF_IO tricks (vendor: gnu, version: 4.1)
checking whether to enable the ETSF_IO fallback... yes
checking whether to build the ETSF_IO fallback... yes
checking for a source tarball of LIBXC... yes
configure: tarball MD5 check succeeded
configure: applying LIBXC tricks
checking whether to enable the LIBXC fallback... yes
checking whether to build the LIBXC fallback... yes
checking for a source tarball of ATOMPAW... no
configure: downloading ATOMPAW - this may take a while
checking availability of ATOMPAW from URL 1... no
configure: WARNING: could not download ATOMPAW fallback tarball
configure: error: cannot build Abinit - aborting

So I turn back to directory "~/.abinit/tarballs/", and find a file named atompaw-3.0.1.tar.gz whose size is zero. I rename atompaw-3.0.tar.gz to atompaw-3.0.1.tar.gz, and configure again.
This time ,I got

Code: Select all

 
==============================================================================
 === 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/zjma/.abinit/tarballs
checking for a source tarball of LINALG... yes
configure: tarball MD5 check succeeded
configure: applying LINALG tricks (vendor: gnu, version: 4.1)
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... yes
configure: tarball MD5 check succeeded
configure: applying NetCDF tricks (vendor: gnu, version: 4.1)
checking whether to enable the NETCDF fallback... yes
checking whether to build the NETCDF fallback... yes
checking for a source tarball of ETSF_IO... yes
configure: tarball MD5 check succeeded
configure: applying ETSF_IO tricks (vendor: gnu, version: 4.1)
checking whether to enable the ETSF_IO fallback... yes
checking whether to build the ETSF_IO fallback... yes
checking for a source tarball of LIBXC... yes
configure: tarball MD5 check succeeded
configure: applying LIBXC tricks
checking whether to enable the LIBXC fallback... yes
checking whether to build the LIBXC fallback... yes
checking for a source tarball of ATOMPAW... yes
configure: WARNING: tarball MD5 check failed
configure: downloading ATOMPAW - this may take a while
configure: WARNING: tarball MD5 check failed
configure: WARNING: could not download ATOMPAW fallback tarball
configure: error: cannot build Abinit - aborting

anyone know what is the matter with my configuring progress ? Do I need to install all the Plug_ins respectly before installing ABINIT6.6.1 ? or is there any problem with atompaw-3.0.tar.gz downloaded from http://www.abinit.org/downloads/plug-in-sources?
Thanks.

Post by **pouillon** » Fri Mar 25, 2011 12:33 pm

The easiest for now is to disable AtomPAW:

Code: Select all

../configure --with-dft-flavor="bigdft+libxc+wannier90"

Please also note that GCC 4.1 is a lttile bit oldish and might not be able to compile Abinit. I suggest you to install a newer version. 4.5 is performing very well.

Alain_Jacques · Post by **Alain_Jacques** » Fri Mar 25, 2011 4:18 pm

Hi Mazuju,

No need to throw the baby out with the bath water. Download http://archives.abinit.org/plugins/atompaw-3.0.1.tar.gz "by hand" - for example with wget - and copy it into ~/.abinit/tarballs/ If all the rest goes well, you'll finish with a cute Atompaw generator. Or go back to http://www.abinit.org/downloads/plug-in-sources - the links is working now. Rename doesn't work because configure checks the downloaded file against its MD5 checksum (05744c6021d60364021ef9e0a9709dd6).

Kind regards,

Alaim

mazuju · Post by **mazuju** » Mon Mar 28, 2011 4:55 am

pouillon wrote:The easiest for now is to disable AtomPAW:
Code: Select all
../configure --with-dft-flavor="bigdft+libxc+wannier90"
Please also note that GCC 4.1 is a lttile bit oldish and might not be able to compile Abinit. I suggest you to install a newer version. 4.5 is performing very well.

Hi, pouillon
Yes ,you are right, GCC-4.1 is old for abinit 6.6.1. I have changed it to GCC-4.5,then it works. Thank you very much.

mazuju · Post by **mazuju** » Mon Mar 28, 2011 4:58 am

Alain_Jacques wrote:Hi Mazuju,

No need to throw the baby out with the bath water. Download http://archives.abinit.org/plugins/atompaw-3.0.1.tar.gz "by hand" - for example with wget - and copy it into ~/.abinit/tarballs/ If all the rest goes well, you'll finish with a cute Atompaw generator. Or go back to http://www.abinit.org/downloads/plug-in-sources - the links is working now. Rename doesn't work because configure checks the downloaded file against its MD5 checksum (05744c6021d60364021ef9e0a9709dd6).

Kind regards,

Alaim

Hi ,Alaim
The atompaw-3.0.1.tar.gz is exactly what I need.
Thanks a lot.

ABINIT Discussion Forums

[SOLVED] Configure problem about Plug-ins for abinit6.6.1

[SOLVED] Configure problem about Plug-ins for abinit6.6.1

Re: Configure problem about Plug-ins for abinit6.6.1

Re: Configure problem about Plug-ins for abinit6.6.1

Re: Configure problem about Plug-ins for abinit6.6.1

Re: Configure problem about Plug-ins for abinit6.6.1