Quantum esspresso-6.7.0 compiled with openmpi-4.0.5 issue - compilation

Question

Dears,
I have installed openmpi-4.0.5, when I compile Quantum espresso-6.7.0 with to use all my threads in my calculations, with this command: " ./configure --enable-openmp ; make -j 12 " ,it seems to be all ok, when I run test ~/q-e-qe-6.7.0/PW/examples/example01/run_example , the following appears in terminal:
#########################################################################################
/home/youca/Softwares/q-e-qe-6.7.0/PW/examples/example01 : starting
This example shows how to use pw.x to calculate the total energy and
the band structure of four simple systems: Si, Al, Cu, Ni.
executables directory: /home/youca/Softwares/q-e-qe-6.7.0/bin
pseudo directory: /home/youca/Softwares/q-e-qe-6.7.0/pseudo
temporary directory: /home/youca/Softwares/q-e-qe-6.7.0/tempdir
checking that needed directories and files exist... done
running pw.x as: mpirun -np 4 /home/youca/Softwares/q-e-qe-6.7.0/bin/pw.x -nk 1 -nd 1 -nb 1 -nt 1
running the scf calculation for Si...Abort(1094543) on node 0 (rank 0 in comm 0): Fatal error in PMPI_Init_thread: Other MPI error, error stack:
MPIR_Init_thread(639)......:
MPID_Init(860).............:
MPIDI_NM_mpi_init_hook(689): OFI addrinfo() failed (ofi_init.h:689:MPIDI_NM_mpi_init_hook:No data available)
Abort(1094543) on node 1 (rank 1 in comm 0): Fatal error in PMPI_Init_thread: Other MPI error, error stack:
MPIR_Init_thread(639)......:
MPID_Init(860).............:
MPIDI_NM_mpi_init_hook(689): OFI addrinfo() failed (ofi_init.h:689:MPIDI_NM_mpi_init_hook:No data available)
Abort(1094543) on node 2 (rank 2 in comm 0): Fatal error in PMPI_Init_thread: Other MPI error, error stack:
MPIR_Init_thread(639)......:
MPID_Init(860).............:
MPIDI_NM_mpi_init_hook(689): OFI addrinfo() failed (ofi_init.h:689:MPIDI_NM_mpi_init_hook:No data available)
Abort(1094543) on node 3 (rank 3 in comm 0): Fatal error in PMPI_Init_thread: Other MPI error, error stack:
MPIR_Init_thread(639)......:
MPID_Init(860).............:
MPIDI_NM_mpi_init_hook(689): OFI addrinfo() failed (ofi_init.h:689:MPIDI_NM_mpi_init_hook:No data available)
forrtl: error (78): process killed (SIGTERM)
Image PC Routine Line Source
pw.x 0000000000DF35D4 Unknown Unknown Unknown
libpthread-2.31.s 00001512446D13C0 Unknown Unknown Unknown
libpthread-2.31.s 00001512446D0330 read Unknown Unknown
libmpi.so.12.0.0 0000151246A1199F Unknown Unknown Unknown
libmpi.so.12.0.0 0000151246A10D32 Unknown Unknown Unknown
libmpi.so.12.0.0 00001512450538D0 Unknown Unknown Unknown
libmpi.so.12.0.0 0000151245104613 MPIR_Err_return_c Unknown Unknown
libmpi.so.12.0.0 0000151245CF2D95 PMPI_Init_thread Unknown Unknown
libmpifort.so.12. 0000151247A895DC MPI_INIT_THREAD Unknown Unknown
pw.x 0000000000895521 mp_world_mp_mp_wo 65 mp_world.f90
pw.x 0000000000894FC6 mp_global_mp_mp_s 71 mp_global.f90
pw.x 0000000000407390 MAIN__ 64 pwscf.f90
pw.x 0000000000407322 Unknown Unknown Unknown
libc-2.31.so 0000151243FB80B3 __libc_start_main Unknown Unknown
pw.x 000000000040722E Unknown Unknown Unknown
forrtl: error (78): process killed (SIGTERM)
Image PC Routine Line Source
pw.x 0000000000DF35D4 Unknown Unknown Unknown
libpthread-2.31.s 000014EC37DFD3C0 Unknown Unknown Unknown
libpthread-2.31.s 000014EC37DFC330 read Unknown Unknown
libmpi.so.12.0.0 000014EC3A13D99F Unknown Unknown Unknown
libmpi.so.12.0.0 000014EC3A13CD32 Unknown Unknown Unknown
libmpi.so.12.0.0 000014EC3877F8D0 Unknown Unknown Unknown
libmpi.so.12.0.0 000014EC38830613 MPIR_Err_return_c Unknown Unknown
libmpi.so.12.0.0 000014EC3941ED95 PMPI_Init_thread Unknown Unknown
libmpifort.so.12. 000014EC3B1B55DC MPI_INIT_THREAD Unknown Unknown
pw.x 0000000000895521 mp_world_mp_mp_wo 65 mp_world.f90
pw.x 0000000000894FC6 mp_global_mp_mp_s 71 mp_global.f90
pw.x 0000000000407390 MAIN__ 64 pwscf.f90
pw.x 0000000000407322 Unknown Unknown Unknown
libc-2.31.so 000014EC376E40B3 __libc_start_main Unknown Unknown
pw.x 000000000040722E Unknown Unknown Unknown
forrtl: error (78): process killed (SIGTERM)
Image PC Routine Line Source
pw.x 0000000000DF35D4 Unknown Unknown Unknown
libpthread-2.31.s 00001502753273C0 Unknown Unknown Unknown
libpthread-2.31.s 0000150275326330 read Unknown Unknown
libmpi.so.12.0.0 000015027766799F Unknown Unknown Unknown
libmpi.so.12.0.0 0000150277666D32 Unknown Unknown Unknown
libmpi.so.12.0.0 0000150275CA98D0 Unknown Unknown Unknown
libmpi.so.12.0.0 0000150275D5A613 MPIR_Err_return_c Unknown Unknown
libmpi.so.12.0.0 0000150276948D95 PMPI_Init_thread Unknown Unknown
libmpifort.so.12. 00001502786DF5DC MPI_INIT_THREAD Unknown Unknown
pw.x 0000000000895521 mp_world_mp_mp_wo 65 mp_world.f90
pw.x 0000000000894FC6 mp_global_mp_mp_s 71 mp_global.f90
pw.x 0000000000407390 MAIN__ 64 pwscf.f90
pw.x 0000000000407322 Unknown Unknown Unknown
libc-2.31.so 0000150274C0E0B3 __libc_start_main Unknown Unknown
pw.x 000000000040722E Unknown Unknown Unknown
forrtl: error (78): process killed (SIGTERM)
Image PC Routine Line Source
pw.x 0000000000DF35D4 Unknown Unknown Unknown
libpthread-2.31.s 000014FD8472A3C0 Unknown Unknown Unknown
libpthread-2.31.s 000014FD84729330 read Unknown Unknown
libmpi.so.12.0.0 000014FD86A6A99F Unknown Unknown Unknown
libmpi.so.12.0.0 000014FD86A69D32 Unknown Unknown Unknown
libmpi.so.12.0.0 000014FD850AC8D0 Unknown Unknown Unknown
libmpi.so.12.0.0 000014FD8515D613 MPIR_Err_return_c Unknown Unknown
libmpi.so.12.0.0 000014FD85D4BD95 PMPI_Init_thread Unknown Unknown
libmpifort.so.12. 000014FD87AE25DC MPI_INIT_THREAD Unknown Unknown
pw.x 0000000000895521 mp_world_mp_mp_wo 65 mp_world.f90
pw.x 0000000000894FC6 mp_global_mp_mp_s 71 mp_global.f90
pw.x 0000000000407390 MAIN__ 64 pwscf.f90
pw.x 0000000000407322 Unknown Unknown Unknown
libc-2.31.so 000014FD840110B3 __libc_start_main Unknown Unknown
pw.x 000000000040722E Unknown Unknown Unknown
Error condition encountered during test: exit status = 179
Aborting
#########################################################################################
My make.inc file contain following:
###############################################################
# make.inc. Generated from make.inc.in by configure.
# compilation rules
.SUFFIXES :
.SUFFIXES : .o .c .f90 .h .fh
# most fortran compilers can directly preprocess c-like directives: use
# $(MPIF90) $(F90FLAGS) -c $<
# if explicit preprocessing by the C preprocessor is needed, use:
# $(CPP) $(CPPFLAGS) $< -o $*.F90
# $(MPIF90) $(F90FLAGS) -c $*.F90 -o $*.o
# remember the tabulator in the first column !!!
.f90.o:
$(MPIF90) $(F90FLAGS) -c $<
.c.o:
$(CC) $(CFLAGS) -c $<
.h.fh:
$(CPP) $(CPPFLAGS) $< -o $*.fh
# Top QE directory, useful for locating libraries, linking QE with plugins
# The following syntax should always point to TOPDIR:
TOPDIR = $(dir $(abspath $(filter %make.inc,$(MAKEFILE_LIST))))
# if it doesn't work, uncomment the following line (edit if needed):
# TOPDIR = /home/youca/Softwares/q-e-qe-6.7.0
# DFLAGS = precompilation options (possible arguments to -D and -U)
# used by the C compiler and preprocessor
# To use libxc (v>=3.0.1), add -D__LIBXC to DFLAGS
# See include/defs.h.README for a list of options and their meaning
# With the exception of IBM xlf, FDFLAGS = $(DFLAGS)
# For IBM xlf, FDFLAGS is the same as DFLAGS with separating commas
# MANUAL_DFLAGS = additional precompilation option(s), if desired
# BEWARE: it does not work for IBM xlf! Manually edit FDFLAGS
MANUAL_DFLAGS =
DFLAGS = -D__DFTI -D__MPI
FDFLAGS = $(DFLAGS) $(MANUAL_DFLAGS)
# IFLAGS = how to locate directories with *.h or *.f90 file to be included
# typically -I$(TOPDIR)/include -I/some/other/directory/
# the latter contains .e.g. files needed by FFT libraries
# for libxc add -I/path/to/libxc/include/
IFLAGS = -I$(TOPDIR)/include -I$(TOPDIR)/FoX/finclude -I/opt/intel/compilers_and_libraries_2019.1.144/linux/mkl:/opt/intel/compilers_and_libraries_2019.1.144/linux/mkl/include
# MOD_FLAG = flag used by f90 compiler to locate modules
MOD_FLAG = -I
# BASEMOD_FLAGS points to directories containing basic modules,
# while BASEMODS points to the corresponding module libraries
# Each Makefile can add directories to MODFLAGS and libraries to QEMODS
BASEMOD_FLAGS= $(MOD_FLAG)$(TOPDIR)/upflib \
$(MOD_FLAG)$(TOPDIR)/Modules \
$(MOD_FLAG)$(TOPDIR)/FFTXlib \
$(MOD_FLAG)$(TOPDIR)/LAXlib \
$(MOD_FLAG)$(TOPDIR)/UtilXlib \
$(MOD_FLAG)$(TOPDIR)/FoX/finclude
# Compilers: fortran-90, fortran-77, C
# If a parallel compilation is desired, MPIF90 should be a fortran-90
# compiler that produces executables for parallel execution using MPI
# (such as for instance mpif90, mpf90, mpxlf90,...);
# otherwise, an ordinary fortran-90 compiler (f90, g95, xlf90, ifort,...)
# If you have a parallel machine but no suitable candidate for MPIF90,
# try to specify the directory containing "mpif.h" in IFLAGS
# and to specify the location of MPI libraries in MPI_LIBS
MPIF90 = mpiifort
F90 = ifort
CC = icc
# CUDA Toolkit path
CUDA_PATH=
# GPU architecture (Kepler: 35, Pascal: 60, Volta: 70 )
GPU_ARCH=
# CUDA runtime (Pascal: 8.0, Volta: 9.0)
CUDA_RUNTIME=
# CUDA F90 Flags
CUDA_F90FLAGS=
# C preprocessor and preprocessing flags - for explicit preprocessing,
# if needed (see the compilation rules above)
# preprocessing flags must include DFLAGS and IFLAGS
CPP = cpp
CPPFLAGS = -P -traditional -Uvector $(DFLAGS) $(IFLAGS)
# compiler flags: C, F90
# C flags must include DFLAGS and IFLAGS
# F90 flags must include MODFLAGS, IFLAGS, and FDFLAGS with appropriate syntax
CFLAGS = -O3 $(DFLAGS) $(IFLAGS)
F90FLAGS = $(FFLAGS) -nomodule -qopenmp -fpp $(FDFLAGS) $(CUDA_F90FLAGS) $(IFLAGS) $(MODFLAGS)
# compiler flags with and without optimization for fortran-77
# the latter is NEEDED to properly compile dlamch.f, used by lapack
FFLAGS = -O2 -assume byterecl -g -traceback -qopenmp
FFLAGS_NOOPT = -O0 -assume byterecl -g -traceback
# compiler flag needed by some compilers when the main program is not fortran
# Currently used for Yambo
FFLAGS_NOMAIN = -nofor_main
# Linker, linker-specific flags (if any)
# Typically LD coincides with F90 or MPIF90, LD_LIBS is empty
# for libxc, set LD_LIBS=-L/path/to/libxc/lib/ -lxcf90 -lxc
# If libxc is older than v5.0.0 replace -lxcf90 with -lxcf03
LD = mpiifort
LDFLAGS = -qopenmp
LD_LIBS =
# External Libraries (if any) : blas, lapack, fft, MPI
# If you have nothing better, use the local copy
# BLAS_LIBS = $(TOPDIR)/LAPACK/libblas.a
BLAS_LIBS = -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core
# If you have nothing better, use the local copy
# LAPACK_LIBS_SWITCH = internal
# LAPACK_LIBS = $(TOPDIR)/LAPACK/liblapack.a
LAPACK_LIBS =
LAPACK_LIBS_SWITCH = external
SCALAPACK_LIBS =
# nothing needed here if the the internal copy of FFTW is compiled
# (needs -D__FFTW in DFLAGS)
FFT_LIBS =
# HDF5
HDF5_LIBS =
FOX_LIB = -L$(TOPDIR)/FoX/lib -lFoX_dom -lFoX_sax -lFoX_wxml -lFoX_common\
-lFoX_utils -lFoX_fsys
FOX_FLAGS =
# For parallel execution, the correct path to MPI libraries must
# be specified in MPI_LIBS (except for IBM if you use mpxlf)
MPI_LIBS =
# IBM-specific: MASS libraries, if available and if -D__MASS is defined in FDFLAGS
MASS_LIBS =
# library for bayesian error estimate functionals
BEEF_LIBS = $(TOPDIR)/LIBBEEF/libbeef.a
BEEF_LIBS_SWITCH = internal
# CUDA libraries
CUDA_LIBS=
CUDA_EXTLIBS =
# ar command and flags - for most architectures: AR = ar, ARFLAGS = ruv
AR = ar
ARFLAGS = ruv
# ranlib command. If ranlib is not needed (it isn't in most cases) use
# RANLIB = echo
RANLIB = ranlib
# all internal and external libraries - do not modify
FLIB_TARGETS = all
LIBOBJS = $(TOPDIR)/clib/clib.a
LIBXC_LIBS =
QELIBS = $(BEEF_LIBS) $(LIBXC_LIBS) $(CUDA_LIBS) $(SCALAPACK_LIBS) $(LAPACK_LIBS) $(FOX_LIB) $(FFT_LIBS) $(BLAS_LIBS) $(MPI_LIBS) $(MASS_LIBS) $(HDF5_LIBS) $(LD_LIBS)
# wget or curl - useful to download from network
WGET = wget -O
# Install directory - "make install" copies *.x executables there
PREFIX = /usr/local
########################################################
Than you in advance

Answer 1

It does not seem that you are actually using Open MPI at all. Your make.inc file sets
MPIF90 = mpiifort
which is the Intel MPI Fortran compiler wrapper. The error messages also seem like coming from Intel MPI. If this is so, you may be simply running into a classical issue with Intel MPI (or more specifically libfrabric) not knowing of any default interface that can be used for parallel communication. Try specifying one prior to running any program using Intel MPI, for instance
export FI_PROVIDER=tcp
or
export FI_PROVIDER=sockets