[Pw_forum] insufficient virtual memory

[Raji Abdulrafiu]

Dear all,

I am doing  PDOS calculation for system ( 776 electrons ) using the
'projwfc.x'. After some time, the error message below was written in
my output error file.
.....
forrtl: severe (41): insufficient virtual memory
Image              PC                Routine            Line
Source
projwfc.x          0000000000BF9C3A  Unknown               Unknown  Unknown
projwfc.x          0000000000BF8E3A  Unknown               Unknown  Unknown
projwfc.x          0000000000BAD71A  Unknown               Unknown  Unknown

I read through the responses to similar problem from the pwscf forum.
Following the recommended steps (by Profs. Eyvaz and Giannozzi), I
reduced the 'ecutwfc'  and 'ecutrho'   from 35Ry & 450 to 30Ry and
350, respectively. The 'nbnd' was also reduced from 700 to 500. I set
'diagonalization = david', to save the CPU time. Also  "startingwfc"=
''atomic' (default).  Despite all these steps, the error persists, and
I am just not sure of what to do again. I need help please!. I am
using ver.4.0 of QE, and the calculation is being done using the
CINECA parallel computers.


Thank you

Raji Abdulrafiu Tunde,
Solid state and Material Physics Group,
Department of Physics,
University of Cape Town,
Private Bag X3,
Rondebosch 7701,
Cape Town. South Africa.
Cell: +27722668228
Fax:  +27216503342