[Pw_forum] davcio error while running pdos calculation: davcio error # 10 error while reading from file

Liang Li lli14 at binghamton.edu
Mon Feb 14 22:44:35 CET 2011


Dear QE users:

A davcio error came up when I was doing Lowdin analysis using projwfc.x. I
first carried out a scf calculation followed by nscf with a extended k-mesh
and everything went smoothly. But when it comes to pdos calculation, the
program crashed and kept saying the following error message:

     Calling projwave ....

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from davcio : error #        10
     error while reading from file
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

I understand that davcio error is usually related to an I/O problem, but I
do have appropriate permissions over all necessary files, and there is
plenty of space on the disk. There was no problem when I was running
example08 (the pdos example come with the PWscf package), so probably there
are some problems caused by my own system.

This problem is killing me these days, and I will highly appreciate it if
someone would take a look at it. By the way, I am taking care of a Cu-O
system with a total atom number of 42, and I am using 4.2 version (parallel)
PWscf.

Thanks a ton!

Liang Li
PhD student
Dept. of Mechanical Engineering
State university of New York@ Binghamton
NY, USA
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