[QE-users] roblem running pp.x

[Matic]

Dear Alba,

in the school you mentioned the "outdir" was explicitly defined as an QE 
environmental variable |(ESPRESSO_TMPDIR=/tmp in ~/.bashrc), if you 
didn't define this varible this is likely the reason for the crashed 
calculation (the outdir variable has to be set to the same path both in 
the input for pw.x and pp.x).
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|So you have two options, either define the environmental variable as 
was done in the school. Or you can define outdir in the CONTROL namelist 
in both input files as:|
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|&CONTROL|
|outdir = '/path/to/scratch/'
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|/
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|where you replace "/path/to/scratch" with the appropriate path (note 
that pseudodir also needs to be defined".|
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|For other customizations that were done please check the 
post-install-qe2019.sh in the post-install directory on git lab (link 
for your convenience):|

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|https://gitlab.com/QEF/material-for-ljubljana-qe-summer-school/-/blob/master/post-install/post-install-qe2019.sh
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|pay particular attention to the modification to .bashrc beginning after 
line 115.
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Best,

Matic

-- 
Matic Poberznik
J. Stefan Institute, Jamova 39, Ljubljana, Slovenia

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