ABINIT Discussion Forums

Hi Matthieu,

Thanks for your reply. You are right. I did a test and the job works fine on one node. At least, now I know that it is not abinit-related. I have contacted our grid support to see how I can run on more nodes.

Does anyone have any input on the above error? I do appreciate any help.

By the way, I also installed Abinit 10.7.5 with gcc 4.9 compiler and the same error happened afetr the first dataset finished.

I am running a band structure calculation on a cluster (64 cores and paral-kgb=1). When the first DATASET is done, the DATASET 2 does not start due to the following error: ----iterations are completed or convergence reached---- outwf: write wavefunction to file output_DS1_WFK, with accesswff 1 File ...

Hi again. An update and a question. I realised that paral_kgb=0 is not enough for my needs because it only leads to parallelisation over k-points . I would require to parallelise over npfft, npband, ... to make the calculations faster. I browsed through the forum and I think there are two alternativ...

Thanks for your response. I am running Abinit on a cluster. As you said, the minimization goes on even when the message repeats but at some point (after many iterations) the code stops running. I think I figured out what maybe wrong. I checked the log file and even though I have not used 'paral-kgb'...

I am getting the same error. Can you please make an update? Did you figure out what was wrong?