ABINIT Discussion Forums

Dear colleagues,

I am experiencing problem to install the abinit 6 with wannier90 plugin. Here is my configuration command:

$ ./configure --prefix=/home/chanier/ABINIT2/bin --enable-mpi="yes" --enable-mpi-io="yes" --with-mpi-prefix="/sw/openmpi-SNAFU" --enable-64bit-flags="yes" --enable-wannier90="yes" --with-wannier90-includes=-I/home/chanier/ABINIT/abinit-6.0.2/plugins/wannier90 --with-wannier90-libs=-L/home/chanier/ABINIT/abinit-6.0.2/plugins/wannier90
$ make
$ make install

When I run the tutorial code for wannier90, it ends to this error:
chkinp: ERROR -
prtwant==2 is only relevant if wannier90 library is linked
Action: check compilation options
-P-0000
-P-0000 leave_new : decision taken to exit ...

How to include wanner90? Do you have any idea?

Thanks in advance, best regards,

Thomas Chanier

Please look at the output of configure ("Plug-ins" section). It will tell you whether it was able to download Wannier90. If it is not the case, you may have to download Wannier90 1.1 manually and move it to ~/.abinit/tarballs/.

Hello,

I copied the wannbier90-1.1.tar in the .abinit/tarball/ directory and installed wannier90-1.1. The configuration command line I used is :
$./configure --prefix=/home/chanier/ABINIT2/bin --enable-mpi="yes" --enable-mpi-io="yes" --with-mpi-prefix="/sw/openmpi-SNAFU" --enable-64bit-flags="yes" --enable-wannier90="yes"

I then check the config.log file:
$grep "wannier" config.log
$ ./configure --prefix=/home/chanier/ABINIT2/bin --enable-mpi=yes --enable-mpi-io=yes --with-mpi-prefix=/sw/openmpi-SNAFU --enable-64bit-flags=yes --enable-wannier90=yes --with-wannier90-includes=-I/home/chanier/.abinit/wannier90-1.1/ --with-wannier90-libs=-L/home/chanier/.abinit/wannier90-1.1/ --with-wannier90=/home/chanier/.abinit/wannier90-1.1/
config.status:1459: creating plugins/wannier90/Makefile
build_wannier90='no'
enable_wannier90='yes'
fcflags_opt_wannier90='-O2'
lib_wannier90_incs='-I/home/chanier/.abinit/wannier90-1.1/'
lib_wannier90_libs='-L/home/chanier/.abinit/wannier90-1.1/'
wannier90_pkg_name='wannier90-1.1'
wannier90_pkg_string='Wannier90 program 1.1 (upstream release)'
with_wannier90='/home/chanier/.abinit/wannier90-1.1/'
with_wannier90_includes='-I/home/chanier/.abinit/wannier90-1.1/'
with_wannier90_libs='-L/home/chanier/.abinit/wannier90-1.1/'


Then:
$make
I have the following error message:
Undefined symbols:
"_wannier_setup_", referenced from:
_mlwfovlp_setup_ in lib67_common.a(mlwfovlp_setup.o)
"_wannier_run_", referenced from:
_mlwfovlp_ in lib67_common.a(mlwfovlp.o)
ld: symbol(s) not found
collect2: ld returned 1 exit status
make[3]: *** [abinit] Error 1
make[2]: *** [all-recursive] Error 1
make[1]: *** [all-recursive] Error 1
make: *** [all] Error 2

Do you have any idea to solve the problem?

Thanks,

Thomas

You were only supposed to copy wannier90-1.1.tar.gz to ~/.abinit/tarballs/, if and only if configure was not able to download it automatically. Installing packages under ~/.abinit/ is not recommended in any case, as it may interfere with the normal build system workflow. I suggest you to clean-up things a bit there.

For the moment, you should not build Wannier90 outside Abinit. Patches have to be applied before, and that's precisely what the Abinit build system takes care of for you. You whould thus not use any --with-wannier90* option.

By the way, your --with-wannier90-libs option was incomplete. It should at least include "-lwannier" to work.

Dear Yann Pouillon,


I tried with the following configuration script, with and without the 1.1 wannier90 tarball, and it still fails when I run the tutorial file on wannier90. I
Configuration script:
./configure --prefix=/home/chanier/kirikou2 --enable-mpi="yes" --enable-mpi-io="yes" --with-mpi-prefix="/sw/openmpi-SNAFU" --enable-64bit-flags="yes" --enable-wannier90="yes"
Do you have an idea how to solver the problem?

Thanks,

Thomas

I don't see what could be wrong with your configuration.

Could you send as attachements your config.log, config.mk, and the report about options at the beginning of the abinit log file?

Dear Yann Pouillon,

Please find enclosed herewith the config.log file. Apparently, wannier90 was not built although I included the flag withwannier90 in the confiiguration command line :

./configure --prefix=/home/chanier/private-SNAFU --enable-mpi="yes" --enable-mpi-io="yes" --with-mpi-prefix="/sw/openmpi-SNAFU" --enable-64bit-flags="yes" --enable-wannier90="yes"
when I run it with the wannier90 tutorial it issues the following error message :

chkinp: ERROR -
prtwant==2 is only relevant if wannier90 library is linked
Action: check compilation options

leave_new : decision taken to exit ...

=== Plug-ins ===
BigDFT : no
ETSF I/O : no
LibXC : no
FoX : no
NetCDF : no
Wannier90 : no

Thank you for your help,
Best,
Thomas

configure:29789: checking for a source tarball of WANNIER90
configure:29794: result: no
configure:29799: downloading WANNIER90 - this may take a while
configure:29803: checking availability of WANNIER90 from URL 1
configure:29809: result: no
configure:29813: checking availability of WANNIER90 from URL 2
configure:29819: result: no
configure:29834: WARNING: could not download WANNIER90 plug-in tarball
configure:29836: WARNING: support for WANNIER90 plug-in has been disabled
configure:29886: checking whether to enable the WANNIER90 plug-in
configure:29888: result: no
configure:29890: checking whether to build the WANNIER90 plug-in
configure:29892: result: no

from your config.log: the .tar.gz was not downloaded, so no build is possible. You can get it directly from http://quasiamore.mit.edu/wannier/code/ ... 1.1.tar.gz, and put it in ~/.abinit/tarballs/

Matthieu

Dear Matthieu,

Thank you, it solved the problem.

Best,

Thomas