Dear experts and users,
I have done the scf calculation (parallel) of a structure of 2_P-1 space
group varying 6-8 RKmax from a HPC (Processor: dual socket 18 core per
socket intel skylake processor, RAM: 96 GB ECC DDR4 2133 MHz RAM in
balanced configuration, Operating system: CentOS-7.3, using co
The "Restarting" is probably a minor bug. If it only occurs once you can
ignore it.
The other one you can ignore.
_
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Györgyi
www.numis.northwestern.edu
On Thu, Se
Hello everyone,
Recently, I have upgraded wien2k version (from ver19 to ver21) and OS (
ubuntu 18.04 to 20.04 LTS). I have followed the procedure as described in
thread
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg21134.html
i am getting the error during initialization of the
Please read!
The message says that you cannot ssh to the same machine. This is a setup
issue. Without more information (.machines file) nobody can help; they
probably cannot help with the information as this is 99% probability an
issue of your OS setup, not Wien2k.
_
Professor Laurence Marks
Good evening,
Would you please remove my email address from your mailing list?
Thank you in advance.
-V.M.
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Ok, i will check the setup. Thanks.
Settings in *.machine file is
1: localhost
1:localhost
granularity:1
extrafine:1
System: intel xeon W processor, 12 cores (single processor), 64 gb ram.
Regards,
A. kumar
On Thu, Sep 2, 2021 at 10:24 PM Laurence Marks
wrote:
> Please read!
>
> The message s
For dstart -p you must have an entry in the .machines file, please read the
UG.
On Thu, Sep 2, 2021 at 12:30 PM Ashwani Kumar wrote:
> Ok, i will check the setup. Thanks.
> Settings in *.machine file is
> 1: localhost
> 1:localhost
> granularity:1
> extrafine:1
>
> System: intel xeon W processor
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