[Wien] error in lapw2 - parallel

Lyudmila Dobysheva lyuka17 at mail.ru
Fri Mar 22 16:18:55 CET 2013


22.03.2013 13:38, Mathrubutham Rajagopalan wrote:
> There is no scf1 and output1 files after running lapw1

This means that lapw1 already does not work.
So, again,
1. Check the file in directory  /home/raja/wien2k/ parallel_options
there should be like:
setenv USE_REMOTE 0
setenv MPI_REMOTE 0
setenv WIEN_GRANULARITY 1

Send us what is this file in your case

>     1. Make a fresh directory.
>     2. Make in terminal the commands by hand
>     x lapw0
>     x lapw1 -c -p
>     and send us the output in terminal and error files if nonzero
>     3.Look at output of lapw0, error file of lapw0 and send us if it is under 
question.

Best wishes
   Lyudmila Dobysheva
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