ABINIT Discussion Forums

Hello, OK i've read through all that material and have started trying to run it in the more parallel way, however when i try and run the code with the following added to my input file: paral_kgb 24 npkpt 3 npband 8 npfft 1 bandpp 1 (running it on 6 nodes each with four processors) I get errors like:...

Oh yes one other quick question; You dont happen to know if there are any GPU flags that need to be included in the input file to force the code to use a graphics card? I compiled ABINIT on a machine correctly on a GPU machine but when i ran a rest it took exactly the same time? Thanks in advance Jack

Can't believe I didn't find that myself I've been trying to figure this out for hours. Thank you!

Hello, I have been running a loop over various positions of atoms in a crystal (input file can be found here: m). And I have access to many hundreds of processors. However, I noticed in the log file after one of the runs that it was only using as many processors as there were k-points being used. Is...

Ahha slight improvement ive found the 'abinit' executable, however from using previous versions (v5.8 I think) I was expecting a serial version and a seperate parallel version (abinis and abinip resp.) is this no longer the case? Jack M

Hi guys bit of a rookie question here but im pretty stuck... I'm working with v6.8.1 of ABINIT, and have succesfully ran './configure' and 'make' (at least so far as I can tell) with MPI enabled. I have begun running the tests (run-basic-tests.sh - located in the directory abinit-6.8.1/tests/Scripts...