Dear Ari,<br>you can downloaded ifortron for non-commercial purposes without any restriction with license agreement.<br><br><div class="gmail_quote">On Sun, Dec 30, 2012 at 11:35 PM, Ari P Seitsonen <span dir="ltr"><<a href="mailto:Ari.P.Seitsonen@iki.fi" target="_blank">Ari.P.Seitsonen@iki.fi</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><br>
Dear Deepika,<br>
<br>
Newer versions of 'gfortran' should also work I believe. The license agreements of the Intel compiler are quite restrictive - well I guess most of the people either do not know or actively ignore them.<br>
<br>
#> gfortran -v<br>
<br>
shows you which version you have installed on your machine.<br>
<br>
Greetings and Good Luck,<div><div class="h5"><br>
<br>
apsi<br>
<br>
-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=<u></u>*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=<u></u>-=*=-=*=-=*=-=*=-<br>
Ari P Seitsonen / <a href="mailto:Ari.P.Seitsonen@iki.fi" target="_blank">Ari.P.Seitsonen@iki.fi</a> / <a href="http://www.iki.fi/~apsi/" target="_blank">http://www.iki.fi/~apsi/</a><br>
Physikalisch-Chemisches Institut der Universitaet Zuerich<br>
Tel: +41 44 63 54 497 / Mobile: +41 79 71 90 935<br>
<br>
<br>
On Sun, 30 Dec 2012, deepika goyal wrote:<br>
<br>
</div></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div class="h5">
Thanks for the nice comments.. yes we are using gfortran compiler,now this<br>
seems the only option is to use ifort -03 compiler. I will try for this and<br>
let you know..<br>
I will be in touch with this forum as I am very new to this field.. I'll<br>
always need your help...<br>
<br>
Greetings<br>
Deepika<br>
<br>
On Sun, Dec 30, 2012 at 11:12 PM, Bramha Pandey <<a href="mailto:pandey.bramha@gmail.com" target="_blank">pandey.bramha@gmail.com</a>><br>
wrote:<br>
As few days ago..i was getting the same like error and adviced<br>
of some Prof. is that to upgrade the compiler.<br>
basicaly i guess you are using gfortron but use upgraded one.<br>
other is that download the ifort -03 noncomercial compiler from<br>
intel site and then configure and make all by this ifort.<br>
As this is a long process keep in touch with this forun and<br>
firstly searched the mailinf list.."this is also the part of<br>
Ph.D and research."<br>
<br>
On Sun, Dec 30, 2012 at 11:06 PM, deepika goyal<br>
<<a href="mailto:deepika.goyal58@gmail.com" target="_blank">deepika.goyal58@gmail.com</a>> wrote:<br>
this is espresso-5.0.2.<br>
<br>
On Sun, Dec 30, 2012 at 11:03 PM, Bramha Pandey<br>
<<a href="mailto:pandey.bramha@gmail.com" target="_blank">pandey.bramha@gmail.com</a>> wrote:<br>
Dear Deepika,<br>
you can search at forun and got lots of<br>
posts at this error.<br>
this error is due to many reasons as you<br>
are using old version of code or buggy<br>
compiler all those things.<br>
which version you are using.. svn or<br>
espresso-5.0.1 or like.<br>
<br>
On Sun, Dec 30, 2012 at 10:54 PM, Ari P<br>
Seitsonen <<a href="mailto:Ari.P.Seitsonen@iki.fi" target="_blank">Ari.P.Seitsonen@iki.fi</a>><br>
wrote:<br>
<br>
Dear Deepika,<br>
<br>
Like you see, the<br>
directory is already wrong<br>
at this stage:<br>
<br>
# pseudo directory: <br>
/pseudo<br>
<br>
It should be what you<br>
defined in the file<br>
'environment_variables',<br>
PSEUDO_DIR=/home/bramha/<u></u>espresso/pseudo<br>
Are you sure that you source<br>
(= the ".<br>
<path>environment_variable"<br>
line in 'run_example') the<br>
correct file?<br>
<br>
Greetings,<br>
<br>
apsi<br>
<br></div></div><div><div class="h5">
-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=<u></u>*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=<u></u>-=*=-=*=-=*=-=*<br>
=-<br>
Ari P Seitsonen /<br>
<a href="mailto:Ari.P.Seitsonen@iki.fi" target="_blank">Ari.P.Seitsonen@iki.fi</a> /<br>
<a href="http://www.iki.fi/~apsi/" target="_blank">http://www.iki.fi/~apsi/</a><br>
Physikalisch-Chemisches<br>
Institut der Universitaet<br>
Zuerich<br>
Tel: +41 44 63 54 497 /<br>
Mobile: +41 79 71 90 935<br>
<br>
<br>
On Sun, 30 Dec 2012, deepika<br>
goyal wrote:<br>
<br>
Hello Sir, <br>
I have checked the environmental<br>
variable file and the path for the<br>
PESUDO_DIR is also correctly defined. In<br>
FAQ, I found no thread relating<br>
this error. I tried with EXPORT<br>
HTTP_PROXY=<a href="http://username" target="_blank">http://username</a>:<u></u>password/ in<br>
.bashrc file. but nothing is working. <br>
<br>
Error message:<br>
<br>
physics@intranet:~/espresso/<u></u>espresso/PW/examples/<u></u>example01$<br>
./run_example<br>
<br>
/home/physics/espresso/<u></u>espresso/PW/examples/example01<br>
: starting<br>
<br>
This example shows how to use pw.x to<br>
calculate the total energy and<br>
the band structure of four simple<br>
systems: Si, Al, Cu, Ni.<br>
<br>
executables directory: /bin<br>
pseudo directory: /pseudo<br>
temporary directory: <br>
/home/physics/tmp<br>
checking that needed directories and<br>
files exist...<br>
ERROR: /pseudo not existent or not a<br>
directory<br>
Aborting<br>
physics@intranet:~/espresso/<u></u>espresso/PW/examples/<u></u>example01$<br>
<br>
If possible can we do it using Team<br>
Viewer as I am very new to Linux<br>
environment. <br>
<br>
Thanks and regards<br>
<br>
DeepikaResearch Scholar<br>
Department of Physics<br>
Indian Institute of Technology<br>
Ropar, 140001<br>
Punjab <br>
<br>
<br>
<br>
On Sun, Dec 30, 2012 at 10:19 PM, Ari P<br>
Seitsonen <<a href="mailto:Ari.P.Seitsonen@iki.fi" target="_blank">Ari.P.Seitsonen@iki.fi</a>><br>
wrote:<br>
<br>
Dear Deepika,<br>
<br>
Clearly the variable 'pseudo_dir' in<br>
your input is<br>
errorneuous, probably there is a problem<br>
with an environmental<br>
variable that you use but it is not<br>
defined?<br>
<br>
Otherwise it would be more useful to<br>
provide more information<br>
about what you did, your script/input<br>
files; but this is<br>
practically an FAQ, more a question<br>
about the usage of<br>
unix/linux scripts than Q-E itself.<br>
<br>
Good Luck!,<br>
<br>
apsi<br>
<br>
-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=<u></u>*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=<u></u>-=*=-=*=-=*=-=*<br>
<br>
=-<br>
Ari P Seitsonen /<br>
<a href="mailto:Ari.P.Seitsonen@iki.fi" target="_blank">Ari.P.Seitsonen@iki.fi</a> /<br>
<a href="http://www.iki.fi/~apsi/" target="_blank">http://www.iki.fi/~apsi/</a><br>
Physikalisch-Chemisches Institut der<br>
Universitaet Zuerich<br>
Tel: +41 44 63 54 497 / Mobile: +41<br>
79 71 90 935<br>
<br>
<br>
On Sun, 30 Dec 2012, deepika goyal<br>
wrote:<br>
<br>
Hello,<br>
I have started working on Quantum<br>
Espresso, while<br>
installation process I<br>
have successfully tested the PW and CPV<br>
modules as given<br>
in User's guide for<br>
Quantum Espresso but the example files<br>
while running shows<br>
the error message<br>
<br>
ERROR: /pseudo not existent or not a<br>
directory<br>
Aborting<br>
<br>
Thanks and Regards<br>
<br>
--<br>
DeepikaResearch Scholar<br>
Department of Physics<br>
Indian Institute of Technology<br>
Ropar, 140001<br>
Punjab <br>
<br>
<br>
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<br>
<br>
<br>
<br>
--<br>
DeepikaResearch Scholar<br>
Department of Physics<br>
Indian Institute of Technology<br>
Ropar, 140001<br>
Punjab <br>
<br>
<br>
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<br>
<br>
<br>
<br>
--<br>
Thanks and Regards<br>
Bramha Prasad Pandey<br>
Indian School of Mines(ISM)<br>
Dhanbad, INDIA.<br>
<br>
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<br>
<br>
<br>
<br>
--<br>
DeepikaResearch Scholar<br>
Department of Physics<br>
Indian Institute of Technology<br>
Ropar, 140001<br>
Punjab <br>
<br>
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<br>
<br>
<br>
<br>
--<br>
Thanks and Regards<br>
Bramha Prasad Pandey<br>
Indian School of Mines(ISM)<br>
Dhanbad, INDIA.<br>
<br>
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<br>
<br>
<br>
--<br></div></div><div class="im">
DeepikaResearch Scholar<br>
Department of Physics<br>
Indian Institute of Technology<br>
Ropar, 140001<br>
Punjab <br>
<br>
</div></blockquote>
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<a href="http://pwscf.org/mailman/listinfo/pw_forum" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><br></blockquote></div><br><br clear="all"><br>-- <br>Thanks and Regards<br>Bramha Prasad Pandey<br>Indian School of Mines(ISM)<br>
Dhanbad, INDIA.<br>