 CP2K version 2026.2
 Source code revision git:c92cc08
 cp2kflags: omp ifx libint fftw3 libxc elpa parallel scalapack mpi_f08 libxs libxsmm max_contr=4 plumed2 has_ieee_exceptions spglib mkl libdftd4 dftd4_v4_2 hdf5
 compiler: Intel(R) Fortran Compiler for applications running on Intel(R) 64, Version 2024.2.1 Build 20240711
 compiler options:
   -I/public/software/package/cp2k-2026.2-build/8173m/main/src/start -I
   /public/toolkit/oneapi/2024.2/mkl/2024.2/include/fftw -I/public/soft
   ware/package/cp2k-2026.2-source/cp2k-2026.2/src -I/public/software/p
   ackage/cp2k-2026.2-build/8173m/main/src -I/public/software/package/c
   p2k-2026.2-source/cp2k-2026.2/src/base -I/public/software/package/cp
   2k-2026.2-source/cp2k-2026.2/src/common -I/public/software/package/c
   p2k-2026.2-source/cp2k-2026.2/src/motion -I/public/software/package/
   cp2k-2026.2-source/cp2k-2026.2/src/dbm -I/public/software/package/cp
   2k-2026.2-build/8173m/main/src/mod_files -DH5_BUILT_AS_DYNAMIC_LIB -
   DIK=i4 -DLIBXSMM_DEFAULT_CONFIG -DUSING_Libxc -D_FILE_OFFSET_BITS=64
    -D_GNU_SOURCE -D_LARGEFILE_SOURCE -D_POSIX_C_SOURCE=200809L -D__BLA
   S -D__COMPILE_ARCH=x86_64 -D__COMPILE_HOST=ccn001-8173m -D__DATA_DIR
   =/public/software/cp2k/2026.2/8173m/share/cp2k/data -D__DFTD4 -D__DF
   TD4_V4_2 -D__ELPA -D__FFTW3 -D__HDF5 -D__LIBINT -D__LIBXC -D__LIBXS 
   -D__LIBXSMM -D__MKL -D__MPI_F08 -D__PLUMED2 -D__SPGLIB -D__SPLA -D__
   parallel -D__SHORT_FILE__=start/cp2k.F -isystem /public/software/cp2
   k/deps/2026.2/8173m/libint-v2.13.1-cp2k-lmax-5/include -isystem /pub
   lic/software/cp2k/deps/2026.2/8173m/dftd4-4.2.0/include -isystem /pu
   blic/software/cp2k/deps/2026.2/8173m/dftd4-4.2.0/include/mctc-lib/mo
   dules -isystem /public/software/cp2k/deps/2026.2/8173m/dftd4-4.2.0/i
   nclude/dftd4/IntelLLVM-2024.2.1 -isystem /public/software/cp2k/deps/
   2026.2/8173m/dftd4-4.2.0/include/multicharge/IntelLLVM-2024.2.1 -isy
   stem /public/toolkit/oneapi/2024.2/mkl/2024.2/include -isystem /publ
   ic/software/cp2k/deps/2026.2/8173m/spglib-2.7.0/include -isystem /pu
   blic/software/cp2k/deps/2026.2/8173m/libxc-7.0.0/include -isystem /p
   ublic/software/cp2k/deps/2026.2/8173m/elpa-2026.02.002/cpu/include/e
   lpa_openmp-2026.02.002 -isystem /public/software/cp2k/deps/2026.2/81
   73m/elpa-2026.02.002/cpu/include/elpa_openmp-2026.02.002/modules -is
   ystem /public/software/cp2k/deps/2026.2/8173m/plumed-2.10.1/include 
   -isystem /public/software/cp2k/deps/2026.2/8173m/SpLA-1.6.1/include 
   -isystem /public/software/cp2k/deps/2026.2/8173m/SpLA-1.6.1/include/
   spla -isystem /public/toolkit/oneapi/2024.2/mpi/2021.13/include -isy
   stem /public/toolkit/oneapi/2024.2/mpi/2021.13/include/mpi -isystem 
   /public/software/cp2k/deps/2026.2/8173m/hdf5-2.1.1/include -isystem 
   /public/software/cp2k/deps/2026.2/8173m/hdf5-2.1.1/mod/shared -isyst
   em /public/software/cp2k/deps/2026.2/8173m/dbcsr-2.10.0/include -isy
   stem /public/software/cp2k/deps/2026.2/8173m/libxs-1.0.0/include -is
   ystem /public/software/cp2k/deps/2026.2/8173m/libxs-1.0.0/include/li
   bxs -isystem /public/software/cp2k/deps/2026.2/8173m/libxsmm-2.0.0/i
   nclude -O3 -module src -fPIE -g -traceback -free -stand f08 -fpp -qo
   penmp -D__MAX_CONTR=4 -fp-model consistent -fpscomp logicals -O3 -xH
   OST -D__HAS_IEEE_EXCEPTIONS -fiopenmp -c -o src/CMakeFiles/cp2k-bin.
   dir/start/cp2k.F.o 
