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abinit 8.4.2: netcdf fallback not working?

PostPosted: Wed Aug 23, 2017 12:51 pm
by sbecuwe
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

Re: abinit 8.4.2: netcdf fallback not working?

PostPosted: Thu Sep 07, 2017 5:28 pm
by Fizik17
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

Re: abinit 8.4.2: netcdf fallback not working?

PostPosted: Fri Sep 08, 2017 8:45 am
by Fizik17
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 .

Re: abinit 8.4.2: netcdf fallback not working?

PostPosted: Tue Oct 09, 2018 3:38 pm
by mverstra
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