f_ppexsi_interface.mod is not found

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Howard Yanxon

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Oct 26, 2022, 6:21:26 PM10/26/22

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Dear developers,

I am having an issue installing CP2k using the MAKEFILE. I also attach the ARCH file.

Here is an error that I get:

/home/yanxonh/software/CP2K/src/pexsi_interface.F:18:8:

18 | USE f_ppexsi_interface, ONLY: f_ppexsi_dft_driver, &

| 1

Fatal Error: Cannot open module file 'f_ppexsi_interface.mod' for reading at (1): No such file or directory

compilation terminated.

make[3]: *** [/home/yanxonh/software/CP2K/Makefile:514: pexsi_interface.o] Error 1

make[3]: *** Waiting for unfinished jobs....

mpif90 -c -O2 -fopenmp -fopenmp-simd -ftree-vectorize -funroll-loops -g -mtune=native -I/home/yanxonh/software/CP2K/tools/toolchain/install/elpa-2022.05.001/cpu/include/elpa_openmp-2022.05.001/elpa -I/home/yanxonh/software/CP2K/tools/toolchain/install/elpa-2022.05.001/cpu/include/elpa_openmp-2022.05.001/modules -I/home/yanxonh/software/CP2K/tools/toolchain/install/quip-0.9.10/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/pexsi-1.2.0/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/scotch-6.0.0/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/superlu_dist-6.1.0/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/libxc-6.0.0/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/spglib-1.16.2/include -I/home/yanxonh/software/libxsmm-install/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/libvdwxc-0.4.0/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/SpFFT-1.0.6/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/SpLA-1.5.4/include/spla -I/home/yanxonh/software/CP2K/tools/toolchain/install/sirius-7.3.2/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/COSMA-2.6.2/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/fftw-3.3.10/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/gsl-2.7/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/openblas-0.3.21/include -D__parallel -D__SCALAPACK -D__HAS_IEEE_EXCEPTIONS -D__MPI_VERSION=3 -D__MAX_CONTR=4 -D__PLUMED2 -D__ELPA -D__QUIP -D__LIBPEXSI -D__LIBVORI -D__LIBXC -D__LIBINT -D__SPGLIB -D__LIBXSMM -D__HDF5 -D__LIBVDWXC -D__SPFFT -D__SPLA -D__SIRIUS -D__COSMA -D__FFTW3 -D__GSL -fallow-argument-mismatch -fbacktrace -ffree-form -ffree-line-length-none -fno-omit-frame-pointer -std=f2008 -D__COMPILE_ARCH="\"Linux-gnu-x86_64_copy\"" -D__COMPILE_DATE="\"Wed 26 Oct 2022 10:03:22 PM UTC\"" -D__COMPILE_HOST="\"polaris-login-02\"" -D__COMPILE_REVISION="\"git:a3b6180\"" -D__DATA_DIR="\"/home/yanxonh/software/CP2K/data\"" -D__SHORT_FILE__="\"block_p_types.F\"" -I'/home/yanxonh/software/CP2K/src/' -I'/home/yanxonh/software/CP2K/obj/Linux-gnu-x86_64_copy/psmp/exts/dbcsr' block_p_types.F90

f951: Warning: Nonexistent include directory '/home/yanxonh/software/CP2K/tools/toolchain/install/elpa-2022.05.001/cpu/include/elpa_openmp-2022.05.001/elpa' [-Wmissing-include-dirs]

f951: Warning: Nonexistent include directory '/home/yanxonh/software/CP2K/tools/toolchain/install/elpa-2022.05.001/cpu/include/elpa_openmp-2022.05.001/modules' [-Wmissing-include-dirs]

f951: Warning: Nonexistent include directory '/home/yanxonh/software/CP2K/tools/toolchain/install/quip-0.9.10/include' [-Wmissing-include-dirs]

f951: Warning: Nonexistent include directory '/home/yanxonh/software/CP2K/tools/toolchain/install/pexsi-1.2.0/include' [-Wmissing-include-dirs]

f951: Warning: Nonexistent include directory '/home/yanxonh/software/CP2K/tools/toolchain/install/scotch-6.0.0/include' [-Wmissing-include-dirs]

f951: Warning: Nonexistent include directory '/home/yanxonh/software/CP2K/tools/toolchain/install/superlu_dist-6.1.0/include' [-Wmissing-include-dirs]

f951: Warning: Nonexistent include directory '/home/yanxonh/software/CP2K/tools/toolchain/install/libxc-6.0.0/include' [-Wmissing-include-dirs]

f951: Warning: Nonexistent include directory '/home/yanxonh/software/CP2K/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' [-Wmissing-include-dirs]

f951: Warning: Nonexistent include directory '/home/yanxonh/software/CP2K/tools/toolchain/install/spglib-1.16.2/include' [-Wmissing-include-dirs]

f951: Warning: Nonexistent include directory '/home/yanxonh/software/CP2K/tools/toolchain/install/libvdwxc-0.4.0/include' [-Wmissing-include-dirs]

f951: Warning: Nonexistent include directory '/home/yanxonh/software/CP2K/tools/toolchain/install/SpFFT-1.0.6/include' [-Wmissing-include-dirs]

f951: Warning: Nonexistent include directory '/home/yanxonh/software/CP2K/tools/toolchain/install/SpLA-1.5.4/include/spla' [-Wmissing-include-dirs]

f951: Warning: Nonexistent include directory '/home/yanxonh/software/CP2K/tools/toolchain/install/sirius-7.3.2/include' [-Wmissing-include-dirs]

f951: Warning: Nonexistent include directory '/home/yanxonh/software/CP2K/tools/toolchain/install/COSMA-2.6.2/include' [-Wmissing-include-dirs]

f951: Warning: Nonexistent include directory '/home/yanxonh/software/CP2K/tools/toolchain/install/fftw-3.3.10/include' [-Wmissing-include-dirs]

f951: Warning: Nonexistent include directory '/home/yanxonh/software/CP2K/tools/toolchain/install/gsl-2.7/include' [-Wmissing-include-dirs]

f951: Warning: Nonexistent include directory '/home/yanxonh/software/CP2K/tools/toolchain/install/openblas-0.3.21/include' [-Wmissing-include-dirs]

mpif90 -c -O2 -fopenmp -fopenmp-simd -ftree-vectorize -funroll-loops -g -mtune=native -I/home/yanxonh/software/CP2K/tools/toolchain/install/elpa-2022.05.001/cpu/include/elpa_openmp-2022.05.001/elpa -I/home/yanxonh/software/CP2K/tools/toolchain/install/elpa-2022.05.001/cpu/include/elpa_openmp-2022.05.001/modules -I/home/yanxonh/software/CP2K/tools/toolchain/install/quip-0.9.10/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/pexsi-1.2.0/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/scotch-6.0.0/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/superlu_dist-6.1.0/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/libxc-6.0.0/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/spglib-1.16.2/include -I/home/yanxonh/software/libxsmm-install/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/libvdwxc-0.4.0/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/SpFFT-1.0.6/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/SpLA-1.5.4/include/spla -I/home/yanxonh/software/CP2K/tools/toolchain/install/sirius-7.3.2/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/COSMA-2.6.2/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/fftw-3.3.10/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/gsl-2.7/include -I/home/yanxonh/software/CP2K/tools/toolchain/install/openblas-0.3.21/include -D__parallel -D__SCALAPACK -D__HAS_IEEE_EXCEPTIONS -D__MPI_VERSION=3 -D__MAX_CONTR=4 -D__PLUMED2 -D__ELPA -D__QUIP -D__LIBPEXSI -D__LIBVORI -D__LIBXC -D__LIBINT -D__SPGLIB -D__LIBXSMM -D__HDF5 -D__LIBVDWXC -D__SPFFT -D__SPLA -D__SIRIUS -D__COSMA -D__FFTW3 -D__GSL -fallow-argument-mismatch -fbacktrace -ffree-form -ffree-line-length-none -fno-omit-frame-pointer -std=f2008 -D__COMPILE_ARCH="\"Linux-gnu-x86_64_copy\"" -D__COMPILE_DATE="\"Wed 26 Oct 2022 10:03:22 PM UTC\"" -D__COMPILE_HOST="\"polaris-login-02\"" -D__COMPILE_REVISION="\"git:a3b6180\"" -D__DATA_DIR="\"/home/yanxonh/software/CP2K/data\"" -D__SHORT_FILE__="\"qs_charges_types.F\"" -I'/home/yanxonh/software/CP2K/src/' -I'/home/yanxonh/software/CP2K/obj/Linux-gnu-x86_64_copy/psmp/exts/dbcsr' qs_charges_types.F90