ABINIT Discussion Forums

Hi Eric,

I am on a 64 bit x86 laptop running Ubintu 18.10. Abinit was compiled with gcc/gfortran 8.2. I ran the fast tests with "make test" after compiling but not the full runtest.py yet.

Cheers,

Jim

Dear Eric, My apologies, input, output and configuration details are attached. This is the standard PAW tutorial file that comes with Abinit, so it should run fine. I've tried some of the other PAW-related files and different PSPs, and it gives the same error. Many thanks, Jim abinit.log tpaw1_1.in ...

Hello, I am getting segmentation faults on PAW calculations just after the SCF converges. Here is the message that comes up on running the first PAW tutorial: Program received signal SIGSEGV: Segmentation fault - invalid memory reference. Backtrace for this error: #0 0x7fa84194491a in ??? #1 0x7fa84...

My problem with libxc WAS that I was using 4.3.0 instead of 4.2.*. I am still not having any luck with bigDFT and wannier90, but I don't think I need those yet. If I do, I will be back

Thanks for your help!

This seems to do the trick with netcdf. So I spent the last week recompiling the libxc, bigdft, etc libraries and making sure everything was in /usr/local. However the configure script is still choking on libxc. checking whether to select a fallback for libxc... no checking xc.h usability... yes che...

Thank you very much! Here are the config log and output.

Hi, Here is /usr/lib/netcdf: drwxr-xr-x 6 root root 4096 Jan 31 17:23 . drwxr-xr-x 110 root root 4096 Jan 31 17:13 .. drwxr-xr-x 2 root root 4096 Jan 31 17:39 bin drwxr-xr-x 2 root root 4096 Jan 31 17:39 include drwxr-xr-x 3 root root 4096 Jan 31 17:39 lib drwxr-xr-x 5 root root 4096 Jan 31 17:23 sh...

Hi, I have gfortran 8.2, and I am trying to install in serial. The output of "dpkg -l | grep netcdf" is: ii libnetcdf-dev 1:4.6.1-3 amd64 creation, access, and sharing of scientific data ii libnetcdf13:amd64 1:4.6.1-3 amd64 Interface for scientific data access to large binary data The outp...

Hello everyone, I'm having problems with the configuration step that I cannot work out. Here is my .ac file: prefix="/usr/local" with_trio_flavor="netcdf" with_netcdf_incs="-I/usr/lib/netcdf/include" with_netcdf_libs="-L/usr/lib/netcdf/lib -lnetcdff -lnetcdf" ...