<div dir="ltr">Hello everyone, On my university cluster I have CP2K installed (by the admins using the packaged version for debian I think, I'm having problems to do it by source) and If I try to run the test "QS/regtest-hybrid-1/H2O-hybrid-pbe0.inp" I get the error in the title (and the same if try to generate a simple input using pbe0) I can provide more informations if you tell me which command to run, for the moment: $dpkg-query -l | grep -e "libint" -e "cp2k" ii cp2k 4.1-1+b1 amd64 Ab Initio Molecular Dynamics ii cp2k-data 4.1-1 all Ab Initio Molecular Dynamics (data files) ii libint1 1.1.6-2+b1 amd64 Evaluate the integrals in modern atomic and molecular theory and the header in the output file reads: DBCSR| Multiplication driver BLAS DBCSR| Multrec recursion limit 512 DBCSR| Multiplication stack size 1000 DBCSR| Maximum elements for images UNLIMITED DBCSR| Multiplicative factor virtual images 1 DBCSR| Randmat seed 12341313 DBCSR| Multiplication size stacks 3 DBCSR| Number of 3D layers SINGLE DBCSR| Use MPI memory allocation T DBCSR| Use RMA algorithm F DBCSR| Use Communication thread T DBCSR| Communication thread load 87 ... ... ... CP2K| version string: CP2K version 4.1 CP2K| source code revision number: svn:17462 CP2K| cp2kflags: libint fftw3 libxc elpa3 parallel mpi3 scalapack CP2K| is freely available from https://www.cp2k.org/ CP2K| Program compiled at Fri Mar 17 00:36:25 UTC 2017 CP2K| Program compiled on x86-ubc-01 CP2K| Program compiled for Linux-x86_64-gfortran CP2K| Data directory path /usr/share/cp2k CP2K| Input file name H2O-hybrid-pbe0.inp I was wondering if the error is known/fixed (I really think that the admins just installed cp2k without compiling it by hand through the package manager) so it might be sufficient to re-download it or if there is a possible workaround? Cheers Daniele </div>