odd "quiet death" when running GW on 5.0.4
Posted: Wed Oct 20, 2021 1:54 pm
Dear all,
I am facing a weird issue; I have run a calculation for G0W0 on this system (same cell, positions, pseudos, cutoffs etc) with yambo 4.3.2 without any issue, but with the new version of yambo it crashes without any error every time at the following step:
the log in this case will say
there is no other error, the RAM consumption is rather marginal (~10% of the available RAM) - any ideas?
compiled using intel-19.
Thanks in advance for any help
Chris
I am facing a weird issue; I have run a calculation for G0W0 on this system (same cell, positions, pseudos, cutoffs etc) with yambo 4.3.2 without any issue, but with the new version of yambo it crashes without any error every time at the following step:
Code: Select all
[06] Local Exchange-Correlation + Non-Local Fock
================================================
[VXC] Plane waves : 7075
[EXS] Plane waves : 61093
QP @ state[ 1 ] K range: 1 1
QP @ state[ 1 ] b range: 45 55
[FFT-HF/Rho] Mesh size: 93 93 69the log in this case will say
Code: Select all
<02m-48s> P1: [X-CG] R(p) Tot o/o(of R): 523 539 100
<02m-48s> P1: Xo@q[1] | | [000%] --(E) --(X)
<02m-53s> P1: Xo@q[1] |######## | [020%] 05s(E) 24s(X)
<02m-58s> P1: Xo@q[1] |################ | [041%] 10s(E) 24s(X)
<03m-03s> P1: Xo@q[1] |######################## | [061%] 15s(E) 24s(X)
<03m-08s> P1: Xo@q[1] |################################# | [082%] 20s(E) 24s(X)
<03m-12s> P1: Xo@q[1] |########################################| [100%] 24s(E) 24s(X)
<03m-13s> P1: [PARALLEL distribution for X Frequencies on 15 CPU] Loaded/Total (Percentual):1/2(50%)
<03m-13s> P1: X@q[1] | | [000%] --(E) --(X)
<03m-29s> P1: X@q[1] |########################################| [100%] 16s(E) 16s(X)
<03m-29s> P1: [PARALLEL distribution for RL vectors(X) on 3 CPU] Loaded/Total (Percentual):1287075/3861225(33%)
<03m-30s> P1: [06] Local Exchange-Correlation + Non-Local Fock
<03m-30s> P1: Self_Energy parallel ENVIRONMENT is incomplete. Switching to defaults
<03m-30s> P1: [PARALLEL Self_Energy for QPs on 5 CPU] Loaded/Total (Percentual):2/11(18%)
<03m-30s> P1: [PARALLEL Self_Energy for Q(ibz) on 1 CPU] Loaded/Total (Percentual):1/1(100%)
<03m-30s> P1: [PARALLEL Self_Energy for G bands on 3 CPU] Loaded/Total (Percentual):19/55(35%)
<03m-30s> P1: [PARALLEL distribution for Wave-Function states] Loaded/Total(Percentual):21/55(38%)
<03m-30s> P1: [FFT-HF/Rho] Mesh size: 93 93 69
<03m-30s> P1: EXS | | [000%] --(E) --(X)compiled using intel-19.
Thanks in advance for any help
Chris