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by placeb0
Fri Jun 25, 2010 12:56 am
Forum: Bader
Topic: VASP hangs when LAECHG=true
Replies: 1
Views: 12188

VASP hangs when LAECHG=true

Hello,

I am running VASP.4.6.35. on the CSM Ra server (8 procs per node). My system is a converged 1x1 TiO2(110) slab with 5 bulk trilayers and 12 Angstroms vacuum. Kpoints are on a 5x10x1 grid. PAW PBE's are utilized. Single node SCF calculations run fine, but when I try to use 2 nodes (16 procs ...