ABINIT Discussion Forums

Hello,

On a single node, my etotal was -4.4223597790E+04 but when I tried on 2 compute nodes my etotal was -4.4217819731E+04...a 5.78 Ha difference. Any ideas why that would be happening?

Thanks!

Dear Stacey,
Is your SCF converged?
Otherwise, did you check the test of your compiled Abinit for parallel (in tests folder, see runtests.py and runparal.py)?
Best wishes,
Eric

Could you shared with link to materials How to check results od Abinit calculations, please?

Thank you