ABINIT Discussion Forums

Based on Yann's suggestions, I performed the same tests but with twice the memory allocated.To do this, I halved the cpu-per-node ratio to double the memory available to each processor. These runs were allocated over twice the estimated memory requirement given by abinit! (how innacurate are those e...

Hi everyone- I am having a lot of trouble compiling abinit 6.6.3 for fft parallelization and need help! I am using ifort 11.1.075 (the updated version) and I can't get fft parallelization working. I have large jobs (supercell calculations) that I need to run with limited memory, so I'm thinking I ne...

Hi- I have been struggling to get a parallel version of abinit compiled such that it can properly hand fft and band parallelization. I have had no problem getting it to parallelize over k-points, but activating npband seems to be a poison pill. I am trying to do defect supercell calculations for MgS...