abinit 8.4.2: netcdf fallback not working?

option, parallelism,...

Moderators: jbeuken, Jordan, pouillon

Forum rules
Please have a look at ~abinit/doc/config/build-config.ac in the source package for detailed and up-to-date information about the configuration of Abinit builds.
For a video explanation on how to build Abinit for Linux, please go to: http://www.youtube.com/watch?v=DppLQ-KQA68.
IMPORTANT: when an answer solves your problem, please check the little green V-like button on its upper-right corner to accept it.
Post Reply
sbecuwe
Posts: 8
Joined: Tue Jul 13, 2010 12:43 pm

abinit 8.4.2: netcdf fallback not working?

Post by sbecuwe » Wed Aug 23, 2017 12:51 pm

Hello,

We compiled Abinit 8.4.2 with icc/ifort 16.0.4 and corresponding MKL and Intel MPI with netcdf-fallback. Everything compiles fine. No errors at run time. But when running anaddb, we don't get any .nc files. "abinit -b" confirms it should be there:

=== Connectors / Fallbacks ===
Connectors on : yes
Fallbacks on : yes
DFT flavor : libxc-fallback+atompaw-fallback+wannier90-fallback
FFT flavor : fftw3-mkl
LINALG flavor : mkl
MATH flavor : none
TIMER flavor : abinit
TRIO flavor : netcdf-fallback

Any idea which test we can perform to check whether netcdf is working properly? Or how to fix this problem? Thanks in advance!

Regards,
Stefan

Fizik17
Posts: 3
Joined: Wed Sep 06, 2017 12:35 pm

Re: abinit 8.4.2: netcdf fallback not working?

Post by Fizik17 » Thu Sep 07, 2017 5:28 pm

sbecuwe wrote:Hello, I installed Abinit 8.4.3 I am new user for this code. I use the same compiler or an other. Thanks in advance for response .

We compiled Abinit 8.4.2 with icc/ifort 16.0.4 and corresponding MKL and Intel MPI with netcdf-fallback. Everything compiles fine. No errors at run time. But when running anaddb, we don't get any .nc files. "abinit -b" confirms it should be there:

=== Connectors / Fallbacks ===
Connectors on : yes
Fallbacks on : yes
DFT flavor : libxc-fallback+atompaw-fallback+wannier90-fallback
FFT flavor : fftw3-mkl
LINALG flavor : mkl
MATH flavor : none
TIMER flavor : abinit
TRIO flavor : netcdf-fallback

Any idea which test we can perform to check whether netcdf is working properly? Or how to fix this problem? Thanks in advance!

Regards,
Stefan

Fizik17
Posts: 3
Joined: Wed Sep 06, 2017 12:35 pm

Re: abinit 8.4.2: netcdf fallback not working?

Post by Fizik17 » Fri Sep 08, 2017 8:45 am

Hello, I installed Abinit 8.4.3 I am new user for this code. I use the same compiler or an other. Thanks in advance for response .

mverstra
Posts: 645
Joined: Wed Aug 19, 2009 12:01 pm

Re: abinit 8.4.2: netcdf fallback not working?

Post by mverstra » Tue Oct 09, 2018 3:38 pm

Hello both,

could you
1) try with the most recent release version of abinit, just in case, and
2) confirm that your ground state runs produce (or not) GSR.nc files? If the latter does work, it means that the code is compiled fine, and there is a clash in the anaddb source code or version somewhere.

ciao
Matthieu Verstraete
University of Liege, Belgium

Post Reply