[CP2K-user] [CP2K:17940] f_ppexsi_interface.mod is not found

Howard Yanxon yanxonh at lbl.gov
Wed Oct 26 22:21:26 UTC 2022
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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 

*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*]

make[2]: *** [/home/yanxonh/software/CP2K/Makefile:143: all] Error 2

make[1]: *** [/home/yanxonh/software/CP2K/Makefile:125: psmp] Error 2

make: *** [Makefile:120: all] Error 2

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