CP2K Regtesting on Intel Compiler

Rafael Soler-Crespo rasole... at gmail.com
Mon Oct 21 21:50:02 UTC 2013


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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