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
Issues with v.6.10.3 tutorial#1
Re: Issues with v.6.10.3 tutorial#1
Hi,
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
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
Jean-Michel Beuken
Computer Scientist
Re: Issues with v.6.10.3 tutorial#1
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!
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!
Re: Issues with v.6.10.3 tutorial#1
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 This only means that the tutorial is - slightly - outdated.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
Simune Atomistics
Donostia-San Sebastián, Spain
Re: Issues with v.6.10.3 tutorial#1
Any hints how to fix the problem about the lack of "Calculation Completed" message in the log and .out files?
Thanks!
Thanks!
Re: Issues with v.6.10.3 tutorial#1
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
University of Liege, Belgium