ABINIT Discussion Forums

jbeuken wrote:if you need recipes to compile the different packages (HDF5, NetCDF, NetCDF-fortran, ...), I provide them

jmb

I would really appreciate these, if you have the chance. Thanks!

The standard packages of ubuntu are not made for the "simulation" nor to make the HPC !! if you need recipes to compile the different packages (HDF5, NetCDF, NetCDF-fortran, ...), I provide them That would be incredibly useful for me! My final install will be on a small HPC system using t...

Thank you for the suggestions. Is there anyway to simply tell the program to not write the NetCDF files in parallel? That would definitely be the easiest solution...

Hello everyone, I have been having some trouble using ABINIT with NetCDF in Linux. I am interested in outputting everything in NetCDF format, either by setting the `enable_netcdf_default="yes"` in the configuration stage, or by using `iomode 3` in the input file. This is my configuration f...

Hey guys, The GW tutorial 1 for Abinit 7.10 produces the following error at step 3, if followed exactly: --- !ERROR message: | Cannot continue, basic dimensions reported in the header do not agree with input file. Check consistency between the content of the external file and the input file. src_fil...

Hi everyone, I just can't seem to successfully run a GW calculation on a Si(111)1x1:H 14 layer slab. The GS, KSS, and SCR parts calculate fine. I get the following error when the GW calculation starts: --- !ERROR message: | Mismatch between Gsph_c and gvec_kss src_file: Subroutine Unknown src_line: ...