[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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