[Pw_forum] [MASSMAIL] error when executing projwfc.x

[Mr. Sushant Kumar Behera]

Dear Efi,

I got the same problem when I tried it during my first time. This is like
below:
=======================================================================
   Program PWSCF v.5.2.0 starts on 17Mar2016 at 13:58:38

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote

     Serial version
     Waiting for input...
     Reading input from standard input

     Current dimensions of program PWSCF are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  3

     Atomic positions and unit cell read from directory:
     ./graphene.save/

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine pw_readfile (1):
     error opening xml data file
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
=====================================================================


The fact is that You install it in a single PC with linux 14.04 LTS. So,
you have to do run every program separately. It is coming only when you
try to run more than one program on the same directory taking ./pw.x for
SCf. So you can solve it by browing from two different directories. You
have to follow the serial property here only. Now I can smoothly solve my
initial problem. I hope this will make some sense to your problem.


regards

sushant

> Dear All,
>
> I am using espresso-5.2.0 in Ubuntu 14.04 and have a problem when
> executing
> projwfc.x. I got the executable projwfc.x by entering 'make pw pp' on the
> terminal. There was no problem when I used this for the first time.
> However, when I executed for the second, third, and so on, I always found
> this error message:
>
>      Serial version
>
>      Reading data from directory:
>      /home/efidwiindari/Desktop/espresso-5.2.0/tempdir/FAPIms/FAPIms.save
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      Error in routine pw_readfile (1):
>      error opening xml data file
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>      stopping ...
>
> All previous calculation were well with no error message. Please find
> below
> the input file:
>
> &PROJWFC
>  outdir='/home/efidwiindari/Desktop/espresso-5.2.0/tempdir/FAPIms/',
>  prefix='FAPIms',
>  ngauss=1,
>  Emin=-19.0,
>  Emax=8.0,
>  deltaE=0.1,
>  filpdos='FAPIms.pdos'
> /
>
> I used the same format and typing as above in many calculations (before I
> had a problem I posted beforehand
> https://www.mail-archive.com/pw_forum@pwscf.org/msg28026.html), Thank you
> for Ari Paavo Seitsonen for the help. It was really helpful. Yet, I don't
> know why lately I could not obtain the pdos output file. I have done the
> same tasks in different computer (with the same ubuntu and quantum
> espresso
> types) but still there is no improvement. The same errors are still there.
>
> Any comment and/or suggestion would really be appreciated.
>
> Thank you in advance.
>
> Best Regards,
>
> Efi Dwi Indari
> Research Assistant, Institut Teknologi Bandung
> _______________________________________________
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> Pw_forum at pwscf.org
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-- 
With Warm Regards

Sushant Kumar Behera
INSPIRE Fellow
Advanced Functional Material Laboratory
Deaprtment of Physics
Tezpur University
Tezpur, India 784028
email: sushant at tezu.ernet.in
Phone: +91-3712-275578 (Lab)
Cell:  +91-8473848729  (Mob)
http://www.tezu.ernet.in/dphy/afml/index.php


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