ABINIT Discussion Forums

Here is what I have in the .ac file: enable_64bit_flags="yes" enable_optim="aggressive" enable_mpi="yes" enable_mpi_io="yes" FC=mpif90 I've noticed that even with mpi_prefix there is the same problem. I noticed that from the apt-get install the prefix location...

Oups, sorry, here is the config.log file,
Eric

Dear everybody, I've just downloaded the last 7.3.3 branch and with respect to the 7.3.2 I have the following error on .configure: ============================================================================== === Multicore architecture support === ===================================================...

OK guys, I come back a bit later on this small problem and it's easy to solve: The maximum number of symmetry (msym in mrgddb.F90 and anaddb.F90) have to be set up to a larger number. It works fine when done. So this is something that have to be changed in future versions when using super-cell (chkp...

Dear all, To my knowledge, I didn't see this problem reported before: When doing a DFPT phonon calculation in a cubic supercell (here a 2x2x2 cubic perovskite) there is an error message in mrgddb and anaddb saying that the maximum number of symmetry is 192 while in the supercell it is 384 (which is ...