2 0 3 0 3 3 4 0 4 3 5 0 5 3 6 0 6 3 6 6
12.00 GMAX
NOFILEFILE/NOFILE write recprlist
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Dear Prof. Peter Blaha,
The current format of .machines file I am using is the following :
4:compute-3-2
4:compute-3-2
What is the correct format that I should use?
Regards,
Hena
From: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at
zeus.theoc
Hit Enter to continue
??
Please help me
?
Jameson Maibam
?
Assam University Silchar
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Now you send another error message and problem.
How should I know whats going on.
You need to supply both, the error message AND the corresponding struct file.
In WIEN2k_11 there is an additional "check" of your struct file, which was not
available in
earlier versions. I believe, your struct fi
Dear Prof. Blaha and users,
I have checked the struct files and repeated the calculation in
different new directories, and the same error keeps on existing. The
scf0 file looks like:
[urko at lcpxdf 015]$ more 015.scf0
-
:ITE001: 1. ITERATION
-
:W
I already told you, you need to change your .machines file. The syntax:
1:host:4
is not supported since it applies to a mpi-parallelization, but you can only do
k-parallelization.
Am 17.05.2012 19:22, schrieb Hena Das:
> Hi Lyudmila Dobysheva,
>
> lapw1 has created some of the files, such as .pro
regards
Suddhasattwa
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> :WARNING: Step size reduced due to overlapping spheres -- check RMT
>
> ?stop error
>
> Can anybody suggest what the problem is and how it can be sorted out?
What could be the problem ? And how could you solve it ?? Please "guess" it.
--
P.Blaha
---
blacs_sgimpt_ilp64.a
> On the next screen you must choose suitable mkl and lapack libraries
> Hit Enter to continue
> Please help me
> Jameson Maibam
> Assam University Silchar
>
>
> ___
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
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