Dear all, My relax calculation is failed due to following reasons: Detected 1 oom-kill event(s) in step 32238824.0 c group. Some of your processes may have been killed by the c group out-of-memory handler. Can you please tell how to fix this? My input is: &CONTROL calculation = 'relax' forc_conv_thr = .01 outdir = './out/' prefix = 'aiida' pseudo_dir = './' verbosity = 'high' / &SYSTEM ecutrho = 2.4000000000d+02 ecutwfc = 4.0000000000d+01 ibrav = 0 nat = 8 ntyp = 2 / &ELECTRONS / &IONS ion_dynamics='bfgs' / ATOMIC_SPECIES Se 78.96 Se.pbe-n-kjpaw.UPF Sn 118.71 Sn.pbe-dn-kjpaw.UPF ATOMIC_POSITIONS angstrom Se 1.3652600000 1.0475000000 0.4593800000 Se 4.4197400000 3.1425000000 2.6893800000 Se 7.1502600000 1.0475000000 1.7706200000 Se 10.2047400000 3.1425000000 4.0006200000 Sn 9.8923500000 1.0475000000 2.1363400000 Sn 7.4626500000 3.1425000000 4.3663400000 Sn 4.1073500000 1.0475000000 0.0936600000 Sn 1.6776500000 3.1425000000 2.3236600000 K_POINTS automatic 3 6 6 0 0 0 CELL_PARAMETERS angstrom 11.7825374926 0.0000000000 0.0000000000 0.0000000000 4.2098506178 0.0000000000 0.0000000000 0.0000000000 4.5605114426 Sourav Das PhD student University of Virginia Sent from Mail for Windows |
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