Issues with v.6.10.3 tutorial#1

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roycuevas
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Joined: Tue Jan 24, 2012 11:11 pm

Issues with v.6.10.3 tutorial#1

Post by roycuevas » Wed Jan 25, 2012 11:51 pm

Hello again:

I successfully installed v.6.10.3 and the make testing_1 and make tests_in worked fine.

However, I am currently following tutorial#1 and when do

abinit<t1x.files>&log

I do not get all the files mentioned in the tutorial. What I get instead are:

log t11.in t11.out t11.outA t1x.files

What am I missing this time?

Thanks

Rogelio

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jbeuken
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Re: Issues with v.6.10.3 tutorial#1

Post by jbeuken » Thu Jan 26, 2012 9:24 am

Hi,

roycuevas wrote:abinit<t1x.files>&log

I do not get all the files mentioned in the tutorial. What I get instead are:

log t11.in t11.out t11.outA t1x.files


Did you examine the contents of log and *.out files ?

If you don't see "Calculation Completed." at the end of theses files, that there is a problem...

jmb
------
Jean-Michel Beuken
Computer Scientist

roycuevas
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Joined: Tue Jan 24, 2012 11:11 pm

Re: Issues with v.6.10.3 tutorial#1

Post by roycuevas » Thu Jan 26, 2012 7:46 pm

Hi,

No, there is no such a message at the end of the files.

By the way, while the tutorial says that abinit should be located in ~/abinit-x.x.x/src/main in my case is in ~/abinit-x.x.x/src/98_main. I do not think this represents an issue, does it?

Any hints how to fix the problem about the lack of "Calculation Completed" message?

Thanks!

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pouillon
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Re: Issues with v.6.10.3 tutorial#1

Post by pouillon » Fri Jan 27, 2012 1:05 am

roycuevas wrote:By the way, while the tutorial says that abinit should be located in ~/abinit-x.x.x/src/main in my case is in ~/abinit-x.x.x/src/98_main. I do not think this represents an issue, does it?


Not at all. This only means that the tutorial is - slightly - outdated.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain

roycuevas
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Re: Issues with v.6.10.3 tutorial#1

Post by roycuevas » Fri Jan 27, 2012 4:02 am

Any hints how to fix the problem about the lack of "Calculation Completed" message in the log and .out files?

Thanks!

mverstra
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Joined: Wed Aug 19, 2009 12:01 pm

Re: Issues with v.6.10.3 tutorial#1

Post by mverstra » Mon Jan 30, 2012 1:32 pm

You need to follow the nettiquette, and in particular tell us what you _did_ get, and where you are running the abinit from (which directory). I suspect you do not have the right path for pseudopotentials, and the files file is wrong, but no idea since we don't have the output...
Matthieu Verstraete
University of Liege, Belgium

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