Hi,
I have faced an error while trying to run G0W0 calculations.
The machine I'm using has got 4 processors together with 32GB memory available.
The estimation of required memory proposed by the program appears to be as the following:
- Peak memory estimate (Mb, per process): -
Global data: 0.26
<n|Vxc|n>: 0.01
BZ integration weights: 0.03
PW-IPW overlap matrix: 3823.25
Coulomb potential: 4332.96
KS eigenvectors: 102.18
Minm:
Momentum matrix elements: 11.86
(q,omega)-BZ integration weights: 438.19
Dielectric function: 3801.59
M*W*M: 1.50
Self-energy: 0.06
___
Total G0W0: 5854.62
The problem is that the program stops running in the GW cycle, showing the following error within nohup.out.
Process 0 of 4 running on qsm07
Process 1 of 4 running on qsm07
Process 3 of 4 running on qsm07
Process 2 of 4 running on qsm07
(task_gw): q-point cycle, iq = 3
(task_gw): q-point cycle, iq = 5
(task_gw): q-point cycle, iq = 7
(task_gw): q-point cycle, iq = 1
forrtl: severe (41): insufficient virtual memory
Image PC Routine Line Source
excitingmpi 0000000000DCF1FE Unknown Unknown Unknown
excitingmpi 0000000000DCDC96 Unknown Unknown Unknown
excitingmpi 0000000000D69322 Unknown Unknown Unknown
excitingmpi 0000000000D0576B Unknown Unknown Unknown
excitingmpi 0000000000D37EA3 Unknown Unknown Unknown
excitingmpi 000000000046A101 Unknown Unknown Unknown
excitingmpi 0000000000938F50 Unknown Unknown Unknown
excitingmpi 000000000081A151 Unknown Unknown Unknown
excitingmpi 000000000045C016 Unknown Unknown Unknown
excitingmpi 00000000008E8DF5 Unknown Unknown Unknown
excitingmpi 0000000000A0A478 Unknown Unknown Unknown
excitingmpi 000000000040C46C Unknown Unknown Unknown
libc.so.6 00002B3A2B313EC5 Unknown Unknown Unknown
excitingmpi 000000000040C36B Unknown Unknown Unknown
I'm kindly looking for your response ;-)
Hossein ^_^