Memory problem when using ELPA

Marcella Iannuzzi marci... at
Wed May 6 07:05:42 UTC 2015

Dear Dominik,

we tested all versions of ELPA with and without activating OMP (when 
We also tested all the available kernels and several compilation options 
(from highly optimised to debug level).
In all cases, starting from version 2013.11 the memory leak is present. 
Though we did not contact the developers yet. 
Do you know who is actively working on ELPA at the moment?

Kind regards

On Monday, May 4, 2015 at 3:06:26 PM UTC+2, Jean-Marie wrote:
> Dear all,
> I have recently started to use the ELPA library and I was very happy when 
> I obtained a nice increase of the calculation speed (~10-20%), even when 
> using as few as 20 processors (the number of cores per node on the 
> supercalculator I am using). However, I have also noticed that when I run a 
> geometry optimization, the memory requirement increases at each geometry 
> step, until the calculation finally crashes! Has anyone else encountered 
> such problem and managed to fix it?
> I am currently using cp2k-2.7 (rel. 14892 but I had the same problem with 
> a previous release) and ELPA-2013-11 (but I had the same problem with other 
> versions) compiled with gcc-4.9.2 (but I had the same problem with 4.6.0), 
> Intel mkl-15.0 and Intel MPI 5.0.1.
> I thank in advance anyone who can help...
> Best regards,
> Jean-Marie
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