[Pw_forum] Problems with generation of projected DOS by projwfc.x
Natalia Pavlenko
natalia at npavlenko.com
Sun Jan 9 15:43:36 CET 2011
Dear Users,
I experience problems when trying to generate projected DOS using
the program projwfc.x
My input file is the following:
------------------------------
&INPUTPP
prefix = 'pwscf'
outdir = '/home/npavlenko/work/lao_sto/lao4_sto1.5/scf/scf1/k6/'
ngauss = 1
degauss = 0.05
Emin = -15.0, Emax = 14.65
DeltaE = 0.01
/
-----------------------------
I use a parallel version of MPI running on 8 CPUs.
In the output after the program is calling projwave I obtain the following error warnings:
---------------------------------------
Calling projwave ....
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from davcio : error # 10
error while reading from file
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
p6_23517: p4_error: : 0
rm_l_6_23519: (239.507812) net_send: could not write to fd=5, errno = 32
p0_22475: p4_error: interrupt SIGx: 13
p1_22477: p4_error: interrupt SIGx: 13
p2_22478: p4_error: interrupt SIGx: 13
p3_22479: p4_error: interrupt SIGx: 13
p5_22481: p4_error: interrupt SIGx: 13
p7_23518: p4_error: interrupt SIGx: 13
p4_22480: p4_error: interrupt SIGx: 13
p2_22478: (253.859375) net_send: could not write to fd=5, errno = 32
p1_22477: (253.863281) net_send: could not write to fd=5, errno = 32
p0_22475: (253.937500) net_send: could not write to fd=4, errno = 32
p3_22479: (254.058594) net_send: could not write to fd=5, errno = 32
p5_22481: (259.597656) net_send: could not write to fd=5, errno = 32
p7_23518: (259.707031) net_send: could not write to fd=5, errno = 32
p4_22480: (260.359375) net_send: could not write to fd=5, errno = 32
------------------------------
I would be grateful for any help and advice.
With best regards,
Natalia Pavlenko
-----------------------------------------------
Dr. Natalia Pavlenko
Institute for Condensed Matter Physics,
Lviv, Ukraine
Tel.: +38-0322-707401
Fax: +38-0322-761158
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