[Pw_forum] Problems with generation of projected DOS by projwfc.x

[Eyvaz Isaev]

Dear Natalia,

Usually, davcio complains if there is a problem with reading of temporary files. 

The error might be due to a) network error, b) corrupted data.

In fact, I  see a message "net_send: could not write to fd=5, errno = 32", so, 
most likely,
it is a network error (or might be insufficient disk space problem).

See also page 60 of User's Guide in /Doc.

Bests,
Eyvaz.

 -------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, 
Sweden 

Theoretical Physics Department, Moscow State Institute of Steel & Alloys, 
Russia, 

isaev at ifm.liu.se, eyvaz_isaev at yahoo.com



----- Original Message ----
From: Natalia Pavlenko <natalia at npavlenko.com>
To: pw_forum at pwscf.org
Sent: Sun, January 9, 2011 3:43:36 PM
Subject: [Pw_forum] Problems with generation of projected DOS by projwfc.x


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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