ABINIT Discussion Forums

Dear abinit users, I am quite new in the community and compiled recently abinit8.0.8. For small test, everything works fine. However, when I move to large systems including SOC (spin orbit coupling), The calculation stops after the SCF convergence. I also have the following error message in the __AB...

Dear Abinit developper, I am trying to compile abinit with psml support on our Debian8 server. I tried to configure abinit with the following command: ../configure --prefix=/home/admincluster/compile_abinit/abinit-8.0.7/build --enable-mpi --enable-mpi-io --with-mpi-prefix=/cluster_cti/utils/openmpi/...

Dear All, I am quite new in the community. I have successfully compiled abinit8.0.8 on our debian8 plateform. After executing the tests, I observed some deviations to the expected values (quite large from my point of view). Below a summary of the execution of tests and attached is my config.log file...

Dear all, I am quite new in the abinit community and try to install abinit on MacOsX (Mavericks). I would like to install it with libXC support, intel fortran compiler and GCC. After compiling LibXC, I tried to first configure Abinit8.0.8 with the following commang: ../configure --prefix=/Users/admi...