CP2K Regtesting on Intel Compiler

Rafael Soler-Crespo rasole... at gmail.com
Wed Oct 23 19:56:28 UTC 2013

Hi Matthias,

As you mentioned, I was patient and the process occurred normally. Now, I 
am getting that some tests failed and some tests were NEW. Of course, this 
is because I don't have a reference to test against. Where can I find this 
reference to check if my code is compiled correctly? I tried looking at the 
header in *do_regtest* but I didn't find anything.


On Tuesday, October 22, 2013 1:50:48 AM UTC-5, Matthias Krack wrote:
> 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.plscript 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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