[Wien] error while loading shared libraries libmpi_usempif08.so.40

[Laurence Marks]

Use of openmpi versus Intel mpi, Cray, mvapich etc is not a Wien2k
question. You need to ensure that you have a working mpi which you can
compile against. Did you read
http://www.serc.iisc.ac.in/message-passing-toolkit-cray/ and load the
relevant modules?

On Thu, Aug 5, 2021 at 2:46 PM venky ch <chvenkateshphy at gmail.com> wrote:

> Dear Wien2k users,
>
> I have successfully installed the Wien2k_21 version at the HPC cluster
> (CrayXC40) of my institute (
> http://www.serc.iisc.ac.in/supercomputer/for-traditional-hpc-simulations-sahasrat/
> <https://urldefense.com/v3/__http://www.serc.iisc.ac.in/supercomputer/for-traditional-hpc-simulations-sahasrat/__;!!Dq0X2DkFhyF93HkjWTBQKhk!A2s-LQjsmD04YdaQzr2YLkZJpb5Z89qbte3Zs6KmdFrPxjiDlx6PBZZ3FLJOQjHhvlJSrw$>),.
> While running the parallel calculations there, I noticed a "lapw0_mpi:
> error" as given below. But when I submit the same job by removing the "-p"
> switch, it has been completed without errors.
> The error has been given below,
>
> ============
> /home/proj/21/isuch/soft/cray/wien2k/lapw0_mpi: error while loading shared
> libraries: libmpi_usempif08.so.40: cannot open shared object file: No such
> file or directory
> [1]    Exit 127                      mpirun -np 48
> /home/proj/21/isuch/soft/cray/wien2k/lapw0_mpi lapw0.def >> .time00
> cat: No match.
> grep: *scf1*: No such file or directory
> grep: lapw2*.error: No such file or directory
>
> =========
>
> I did not find such a library in my MPI_ROOT/lib path and nowhere I found
> it within the cluster. I have searched on the internet for that library and
> found that it may be installed externally (
> https://pkgs.org/download/libmpi_usempif08.so.40(openmpi-i386)
> <https://urldefense.com/v3/__https://pkgs.org/download/libmpi_usempif08.so.40(openmpi-i386)__;!!Dq0X2DkFhyF93HkjWTBQKhk!A2s-LQjsmD04YdaQzr2YLkZJpb5Z89qbte3Zs6KmdFrPxjiDlx6PBZZ3FLJOQjF8maS7ZA$>).
> Kindly suggest to me what I should do, whether I miss something while
> linking available library paths or should  I go with a new installation of
> that library..?
>
> Your suggestions are really helpful to me.
>
> the WIEN2k_OPTIONS are given below
>
> ==========
> current:FOPT:-O -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
> -traceback -assume buffered_io -I$(MKLROOT)/include
> -I/opt/intel/compilers_and_libraries_2019.5.281/linux/mpi/intel64/include
> current:FPOPT:-O -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
> -traceback -assume buffered_io -I$(MKLROOT)/include
> -I/opt/intel/compilers_and_libraries_2019.5.281/linux/mpi/intel64/include
> current:OMP_SWITCH:-qopenmp
> current:OMP_SWITCHP:-qopenmp
> current:LDFLAGS:$(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -lpthread -lm
> -ldl -liomp5
> current:DPARALLEL:'-DParallel'
> current:R_LIBS:-lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core
> current:RP_LIBS:$(R_LIBS)
> current:FFTWROOT:/opt/cray/pe/fftw/3.3.8.3/x86_64/
> <https://urldefense.com/v3/__http://3.3.8.3/x86_64/__;!!Dq0X2DkFhyF93HkjWTBQKhk!A2s-LQjsmD04YdaQzr2YLkZJpb5Z89qbte3Zs6KmdFrPxjiDlx6PBZZ3FLJOQjHO33HIvQ$>
> current:FFTW_VERSION:FFTW3
> current:FFTW_LIB:lib
> current:FFTW_LIBNAME:fftw3
> current:LIBXCROOT:/home/proj/21/isuch/soft/cray/libxc/
> current:LIBXC_FORTRAN:xcf03
> current:LIBXC_LIBNAME:xc
> current:LIBXC_LIBDNAME:lib
> current:SCALAPACKROOT:$(MKLROOT)/lib/
> current:SCALAPACK_LIBNAME:libmkl_scalapack_lp64
> current:BLACSROOT:$(MKLROOT)/lib/
> current:BLACS_LIBNAME:libmkl_blacs_intelmpi_lp64
> current:ELPAROOT:
> current:ELPA_VERSION:
> current:ELPA_LIB:
> current:ELPA_LIBNAME:
> current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
> current:CORES_PER_NODE:24
> current:MKL_TARGET_ARCH:intel64
> ===========
>
> thanks
>
> Venkatesh
> Postdoctoral Fellow,
> Department of Instrumentation and Applied Physics
> IISc Bangalore, India
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>


-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
"Research is to see what everybody else has seen, and to think what nobody
else has thought" Albert Szent-Györgyi
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