[QE-users] wfc files with PP

[Bruno Madebène]

Dear QE users,

I am using the development version of QE 6-2-2 (downloaded the 05/18) 
compiled with Intel 2017.5
I am working with Centos7 on a bi Xeon Skylake.

I have one comment and one question:

I have a problem using PP for making cube file of the charge density 
since an update of the OS last week:
If I use use PP only with openmp, the program crash saying it can't 
find/open ***.wfc1
it was working (same input, same command) before the update.
I recompile  PP, the problem is still there.
I think the problem comes from Intel compiler with the last kernel and 
library. I noticed a error message with the vtune amplifier.
( related to 
https://software.intel.com/en-us/forums/intel-vtune-amplifier-xe/topic/779038 
?)
I don't have time to check it now.

The solution I found, if it can help someone, is simply to run PP with 
MPI... It works...

Second, I have a question for dev:
If I make a cube file with pp:
with option 17 (valence charge density) or 21 (with core correction) the 
only temporary file is tmp.pp which is normal.
with option 8 (elf, with the patch 
https://gitlab.com/QEF/q-e/issues/34)  n ***.wfc files (where n is the 
number of MPI process used) are created and left in the working directory.
My question is:
Is it normal to have the ***.wfc files with elf? Or could it be a 
problem related to  the evolution of the code as the problem with 
dffts/dfftp corrected by the patch?

Best regards,

Bruno