CP2K Regtesting on Intel Compiler

Matthias Krack matthia... at psi.ch
Tue Oct 22 08:50:48 CEST 2013


Hi Rafa,

the generation of the first Changelog may take 10-20 min and in this time 
no change occurs in the folders. It is simply the runtime of the svncl.pl 
script building the Changelog for the full revision history of CP2K. The 
next update run will require only a few seconds. So just try to be patient 
for the first time as the printed comment suggests.

Matthias


On Monday, October 21, 2013 11:50:02 PM UTC+2, Rafael Soler-Crespo wrote:
>
> Hi all,
>
> I've been trying to setup regtesting with the Intel Compiler, MPI Version. 
> However, for some reason, the testing script (do_regtest) hangs on writing 
> the Changelog for the first time. To make sure all is fine, I am tracking 
> the process using *$ ls -l* but no change of time occurs in the folders 
> associated with the regtesting. Is there some specific reason as to why 
> this might be happening?
>
> Thanks,
> Rafa
>
> P.S: I have attached my regtesting script (sections to be changed) below.
>
> # The following variable definitions can now be loaded from a
> # site-specific configuration using the -config option. Create one
> # configuration file for each architecture/compiler using these as a
> # template (and don't forget to include a modified cp2k_prefix for MPI
> # runs as well!).
> export LC_ALL=C
> export FORT_C_NAME=intel
> # Might consider following export to be done, too
> #export MPI_F90=mpif90
> export MPI_F90=mpiifort
> dir_base=$PWD
> cp2k_version=popt
> dir_triplet=Linux-x86-64-${FORT_C_NAME}
> export ARCH=${dir_triplet}
> cp2k_dir=cp2k/cp2k # Since SVN creates a cp2k folder with another cp2k 
> folder within it. The second one has 3 folders: potentials, basis_sets, 
> cp2k.
> maxtasks=1
> numprocs=1
> export OMP_NUM_THREADS=1
> emptycheck="NO"
> leakcheck="NO"
>
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