ABINIT Discussion Forums

First, I used configure file is
enable_mpi="yes"
enable_mpi_io="yes"
with_mpi_prefix="/usr"
with_netcdf_incs="-I/usr/include"
with_netcdf_libs="-L/usr/lib64 -lnetcdf -lnetcdff"
with_fft_flavor="fftw3"
with_fft_incs="-I/usr/include/"
with_fft_libs="-L/usr/lib64 -lfftw3 -lfftw3f"
with_linalg_flavor="atlas"
with_linalg_libs="-L/usr/lib64 -llapack -lf77blas -lcblas -latlas"
with_dft_flavor="atompaw+bigdft+libxc+wannier90"
enable_gw_dpc="yes"

configure result are:

checking whether the C compiler works... yes
checking whether we are cross compiling... no
checking for suffix of executables...
checking for suffix of object files... o
checking whether we are using the GNU C compiler... yes
checking whether gcc accepts -g... yes
checking for gcc option to accept ISO C89... none needed
checking for style of include used by make... GNU
checking dependency style of gcc... none
checking for gfortran... gfortran
checking whether we are using the GNU Fortran compiler... yes
checking whether gfortran accepts -g... yes
checking whether to enable the LINALG fallback... no
checking whether to enable the FOX fallback... no
checking whether to enable the NETCDF fallback... no
checking whether to enable the ETSF_IO fallback... no
checking whether to enable the LIBXC fallback... yes
checking for a source tarball of LIBXC... no
configure: downloading LIBXC - this may take a while
configure: downloading LIBXC - this may take a while
configure: error: could not download LIBXC fallback tarball
Disable support for LIBXC or download the tarball manually to
/home/qpmeng/.abinit/tarballs
configure: error: ../../fallbacks/configure failed for fallbacks

From the Forums, I find
./configure --with-tardir=/home/qpmeng/.abinit/tarballs

then get results
Summary of important options:

* C compiler : gnu version 4.4
* Fortran compiler: gnu version 4.4
* architecture : amd opteron (64 bits)

* debugging : basic
* optimizations : standard

* OpenMP enabled : no (collapse: ignored)
* MPI enabled : no
* MPI-IO enabled : no
* GPU enabled : no (flavor: none)

* TRIO flavor = none
* TIMER flavor = abinit (libs: ignored)
* LINALG flavor = netlib (libs: auto-detected)
* ALGO flavor = none (libs: ignored)
* FFT flavor = none (libs: ignored)
* MATH flavor = none (libs: ignored)
* DFT flavor = none

Configuration complete.
You may now type "make" to build ABINIT.
(or, on a SMP machine, "make mj4", or "make multi multi_nprocs=<n>")

please see my config.log file. Without MPI, FFT and DFT flavor, could I use abinit? Thank you.

Best,
Qingping

Hi,

the configure file is perhaps good…
but the problem is :



I see "hostname = Node6" in the config.log…

if this node is part of a cluster, there may be a problem of connection to internet

can you execute these commands to debug your environment ?

jmb

Thank you so much for your reply. Yes, my internet has some problem. How can I solve the problem, if I cannot use internet.

Thank you so much for your reply. Yes, my internet has some problem. How can I solve the problem, if I cannot use internet.

jbeuken wrote:Hi,

the configure file is perhaps good…
but the problem is :

Code: Select all

configure: downloading LIBXC - this may take a while
configure: downloading LIBXC - this may take a while
configure: error: could not download LIBXC fallback tar ball

I see "hostname = Node6" in the config.log…

if this node is part of a cluster, there may be a problem of connection to internet

can you execute these commands to debug your environment ?

jmb

Code: Select all

env
ifconfig -a
ping 130.104.1.1
which mpif90
mpif90 -show
mpif90 --version

You have basically 2 ways of solving this:
* disabling any external dependency, if your calculations just need core features of Abinit;
* downloading the external dependencies manually and transfer them to the computer where you want to build Abinit, in the ~/.abinit/tarballs/ directory.

For a full list of external tarballs compatible with your version of Abinit, see:

http://www.abinit.org/downloads/fallbacks-sources