[CP2K-user] [CP2K:17949] Re: f_ppexsi_interface.mod is not found

Howard Yanxon yanxonh at lbl.gov
Fri Oct 28 17:11:21 UTC 2022
Previous message (by thread): [CP2K-user] [CP2K:17940] f_ppexsi_interface.mod is not found
Next message (by thread): [CP2K-user] [CP2K:17942] Get band gap with OT
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]
Dear developers,

Have you ever encountered this issue?

Please let me know if you need more info.

Regards,

Howard

On Wednesday, October 26, 2022 at 3:21:26 PM UTC-7 Howard Yanxon wrote:

> 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
>
>

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/bf59f3a5-3048-4e5d-bc76-69ff136aefb2n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20221028/bd57f9a4/attachment-0001.htm>
Previous message (by thread): [CP2K-user] [CP2K:17940] f_ppexsi_interface.mod is not found
Next message (by thread): [CP2K-user] [CP2K:17942] Get band gap with OT
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]
More information about the CP2K-user mailing list