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Cannot allocate memory 
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Joined: Thu Aug 30, 2018 11:25 am
Posts: 1
University: FSTM
Post Cannot allocate memory
Hello,

I am working on Quantum espresso 6.2.1 installed on linux ubuntu 16.04 LTS 64bit.
However, on running the program for epw calculation, after several minutes, I am getting the
following error on the terminal.

"Operating system error: Cannot allocate memory
Allocation would exceed memory limit".

Please suggest me a possible way to troubleshoot.

input file is given by:

--
&inputepw
prefix = 'si'
amass(1) = 28.0855
outdir = './'

elph = .true.
kmaps = .false.
epbwrite = .true.
epbread = .false.

epwwrite = .true.
epwread = .false.

nbndsub = 8
nbndskip = 0

wannierize = .true.
num_iter = 300
iprint = 2
dis_win_max = 12
dis_froz_max= 6.5
proj(1) = 'Si:sp3'

iverbosity = 0

band_plot = .true.
elecselfen = .false.
phonselfen = .false.
a2f = .false.

parallel_k = .true.
parallel_q = .false.

fsthick = 30 ! eV
eptemp = 1 ! K
degaussw = 0.01 ! eV
degaussq = 0.05 ! meV

dvscf_dir = '../phonons/save'
filukk = './si.ukk'

efermi_read = .true.
fermi_energy = 6.3156

nk1 = 12
nk2 = 12
nk3 = 12

nq1 = 6
nq2 = 6
nq3 = 6

filqf = './path.kpf'

! nqf1 = 20
! nqf2 = 20
! nqf3 = 20

nkf1 = 12
nkf2 = 12
nkf3 = 12

! The list of qpoints below must be identical
! to ../phonons/qlist.dat
/
16 cartesian
0.0000000 0.0000000 0.0000000 0.0092593
-0.1666667 0.1666667 -0.1666667 0.0740741
-0.3333333 0.3333333 -0.3333333 0.0740741
0.5000000 -0.5000000 0.5000000 0.0370370
0.0000000 0.3333333 0.0000000 0.0555556
-0.1666667 0.5000000 -0.1666667 0.2222222
0.6666667 -0.3333333 0.6666667 0.2222222
0.5000000 -0.1666667 0.5000000 0.2222222
0.3333333 0.0000000 0.3333333 0.1111111
0.0000000 0.6666667 0.0000000 0.0555556
0.8333333 -0.1666667 0.8333333 0.2222222
0.6666667 0.0000000 0.6666667 0.1111111
0.0000000 -1.0000000 0.0000000 0.0277778
0.6666667 -0.3333333 1.0000000 0.2222222
0.5000000 -0.1666667 0.8333333 0.2222222
-0.3333333 -1.0000000 0.0000000 0.1111111

Thanks and Regards.


Thu Aug 30, 2018 11:32 am
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Joined: Wed Jan 13, 2016 7:25 pm
Posts: 507
University: Oxford
Post Re: Cannot allocate memory
Hello,

You can use the following epw input variable:

Quote:
etf_mem = 1


This will reduce your memory usage.

Best wishes,
Samuel

_________________
Dr. Samuel Poncé
Department of Materials
University of Oxford
Parks Road
Oxford OX1 3PH, UK


Sat Sep 01, 2018 3:09 pm
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