Hi
I have a report to make about the optic code included in WIEN2k_11.1
(Release 5/4/2011).
I am using the WIEN2k on a Fedora 12 system with ifort (IFORT) 10.1
20080602.
I am calculating the optical constants for Si diamond structure crystal.
(lattice parameter 10.270700 atu, Si at (1/8,1/8,1
in advance
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perpetual demand of the password
by
> ssh so knowing that I work on a one multiprocessor pc
> why this request and how to get rid of this requested password
>
> i hop you answer me this time request
> thank you in advance
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same time?
Many thanks,
David Tompsett.
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Before WIEN2k can run in k-parallel mode, you must be able to do on the command
line:
ssh localhost
and logged into the desired machine without a password.
On some installations "localhost" may not work, but you have to provide a
"real" name of the
computer.
And I guess after "ssh-keygen -t
PS: When you have onle ONE computer (with 4-8 cores) you can also use "shared
memory machine"
during siteconfig. The you will run always on the local machine and do not need
ssh at all.
Am 09.06.2011 12:30, schrieb Peter Blaha:
> Before WIEN2k can run in k-parallel mode, you must be able to do o
We don't know what: "even though I have my .machines file set up correctly"
means ...
Check $WIENROOT/parallel_options. You should have zeros for
USE_REMOTE 1 or 0 is "active" for k-point parallelization only (not your
case)
you will use ssh (or not) when using serial k-parallelization.
M
.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671 FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/theochem/
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en.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
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What about reading the usersguide first ?
Am 09.06.2011 15:17, schrieb moshi uddin:
> Dear wien2k users,
> Could anyone please help to install k-point patallelization. I have 7 desktop
> with i7 processor. Can anyone send me the steps that i need to follow, i am
> using CentOS 5.5 for all
> the
ls Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671 FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/theochem/
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..
Please give me some advice how to solve this problem.
Thank you in advance.
All my best,
Jihoon Park
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Most likely it is the RLO.
Try a calculation without RLOs.
Am 09.06.2011 18:53, schrieb Jihoon Park:
> Dear users,
> As I was calculating LSDA+SO, I got the following message.
> ---
& Meteorology
Material Processing & Solid State Ionics Lab
IIT Kharagpur
Kharagpur 721302
INDIA
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