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

[venky ch]

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/),.
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)). 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/
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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