nics Lab
IIT Kharagpur
Kharagpur 721302
INDIA
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Ghosh
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Dear Wien2k Users and Developers,
In the mailing-list I can see only the fragment of my previous letter. It was
much longer.
Could someone explain the reason?
Excuse me for a simple question but I am novice in Wien2k.
Kakhaber Jandieri
Dear Wien2k Users and Developers,
I am trying to install Wien2k_08.1 on Linux claster:
Kernel - 2.6.26/amd64
Operating System - Debian GNU/Linux v5.0 ("lenny")
Queuing System - SUN GridEngine 6.2u5
CPU(s): Dual Opteron 270 (DualCore 2.0GHz)
Dual O
> I intend to do SO calculation and before that I have finished a regular
> scf calculation.
>
> But the calculation crashed. Here is the error report:
> LAPWSO END
> forrtl: severe (64): input conversion error, unit 5, file
> /home/bshao/wien2k/FeAl31/FeAl31.in2c
> Image PC
t/amadm
+43 3842 402 4405 Phone
+43 3842 402 4402 Fax
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anybody tell me as to how we can make the .machine file work?
Suddhasattwa Ghosh
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anybody tell me as to how we can make the .machine file work?
Suddhasattwa Ghosh
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?
Suddhasattwa Ghosh
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There appears to be a bit of confusion here, the different formats
mean different things:
Case 1:
1:nx80:8
This uses mpi which means that lapw1_mpi & lapw2_mpi as well as some
appropriate mpirun must all have been compiled.
Case 2:
1:nx80
1:nx80
...
This runs a number of tasks using lapw1, lapw
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