Why atompaw, bigdft, weren't built even if I enable fallbak  [SOLVED]

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kinsang
Posts: 13
Joined: Wed Mar 23, 2016 2:24 pm

Why atompaw, bigdft, weren't built even if I enable fallbak

Post by kinsang » Thu Mar 31, 2016 2:32 pm

Hi, everyone, I am using abinit-7-10-5
As I felt difficult to build all the external libraries, including bigdft, atompaw, libxc and netcdf.
I enable fallbacks, but the configure message shows that they are NOT bulit. Why? How to bulid them conveniently? Enclosing my config.ac and the configure.log. Thanks a lot!

config.ac
# configure file
FC=mpiifort
CC=mpiicc
CXX=mpiicpc
enable_mpi="yes"
enable_mpi_io="yes"
enable_debug="no"
enable_optim="yes"
enable_hints="yes"

enable_fallbacks="yes"
enable_connectors="yes"

configure.log
==============================================================================
=== Feature triggers ===
checking whether the MPI library supports MPI_IALLREDUCE (MPI3)... yes
checking whether to activate GPU support... no

==============================================================================
=== Feature triggers ===
==============================================================================

configure: using tarball repository /public/home/kinsang/.abinit/tarballs
checking for the requested linear algebra support... netlib
checking whether to select a fallback for linear algebra... no
checking for AXPBY support in specified BLAS libraries... no
checking for gemm3m in specified libraries... no
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 MPI linear algebra support... no
checking whether we have a GPU linear algebra support... no
checking for the actual linear algebra support... netlib-fallback
checking for the requested FFT support... none
checking for the actual FFT support... none

==============================================================================
=== Connectors / Fallbacks ===
==============================================================================

checking for the requested transferable I/O support... none
checking for the actual transferable I/O support... none
checking for the requested timer support... abinit
checking time.h usability... yes
checking time.h presence... yes
checking for time.h... yes
checking for clock_gettime in -lrt... yes
checking for clock_gettime... yes
checking for the actual timer support... abinit
checking for the requested algorithmic support... none
checking for the actual algorithmic support... none
checking for the requested math support... none
checking for the actual math support... none
checking for the requested DFT support... none
checking for the actual DFT support... none
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
Attachments
conf.log
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temok
Posts: 39
Joined: Tue Jun 08, 2010 1:44 am

Re: Why atompaw, bigdft, weren't built even if I enable fall  [SOLVED]

Post by temok » Thu Mar 31, 2016 6:40 pm

Hi Kinsang,

If you run configure from the command line, add:

Code: Select all

--with-dft-flavor="atompaw+bigdft+libxc+wannier90"
--with-trio-flavor="netcdf+etsf_io"

On the other hand, if you use the 'config.ac', then change the dashes by underscores, i.e.

Code: Select all

with_dft_flavor="atompaw+bigdft+libxc+wannier90"
with_trio_flavor="netcdf+etsf_io"


For examples of .ac files, see

Code: Select all

 abinit-7.10.5/doc/build/config-examples/

also run

Code: Select all

abinit-7.10.5/configure --help  |  less 


Cheers,
Temok

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