I install the latest version of the Intel Parallel Studio and OpenMPI-2.0.1. Now when I try to install the quantum espresso I saw the following lines.
ld: warning: libifport.so.5, needed by /opt/openmpi-2.0.1/lib/libmpi_usempif08.so, not found (try using -rpath or -rpath-link)
ld: warning: libifcoremt.so.5, needed by /opt/openmpi-2.0.1/lib/libmpi_usempif08.so, not found (try using -rpath or -rpath-link)
ld: warning: libimf.so, needed by /opt/openmpi-2.0.1/lib/libmpi_usempif08.so, not found (try using -rpath or -rpath-link)
ld: warning: libintlc.so.5, needed by /opt/openmpi-2.0.1/lib/libmpi_usempif08.so, not found (try using -rpath or -rpath-link)
ld: warning: libsvml.so, needed by /opt/openmpi-2.0.1/lib/libmpi_usempif08.so, not found (try using -rpath or -rpath-link)
And for the above I guess that I got many undefined references. I looked after the tutorial for building Quantum Espresso with Intel coprocessors "Quantum ESPRESSO* for Intel® Xeon Phi™ Coprocessor", . My make.sys file is as following,
TOPDIR = /media/logroup/Linux_Program_Data/DFT/Software/espresso-5.4.0
MANUAL_DFLAGS =
DFLAGS = -D__OPENMP -D__INTEL -D__FFTW3 -D__MPI -D__PARA -D__SCALAPACK
FDFLAGS = $(DFLAGS) $(MANUAL_DFLAGS)
IFLAGS = -I../include -I/opt/intel/compilers_and_libraries_2017.0.098/linux/mkl/include/fftw
MOD_FLAG = -I
MPIF90 = /opt/openmpi-2.0.1/bin/mpif90
#F90 = ifort
CC = /opt/intel/compilers_and_libraries_2017.0.098/linux/bin/intel64/icc
F77 = /opt/intel/compilers_and_libraries_2017.0.098/linux/bin/intel64/ifort
CPP = /opt/intel/compilers_and_libraries_2017.0.098/linux/bin/intel64/icc -E
CPPFLAGS = -P -C -traditional $(DFLAGS) $(IFLAGS)
CFLAGS = -O3 -xAVX -fno-alias -ansi-alias -g -mkl $(DFLAGS) $(IFLAGS)
F90FLAGS = $(FFLAGS) -nomodule -qopenmp -fpp $(FDFLAGS) $(IFLAGS) $(MODFLAGS)
FFLAGS = $(CFLAGS) -assume byterecl
FFLAGS_NOOPT = -O0 -assume byterecl -g -traceback
FFLAGS_NOMAIN = -nofor_main
LD = /opt/openmpi-2.0.1/bin/mpif90
LDFLAGS = -static-intel -qopenmp
LD_LIBS = -L/opt/intel/lib/intel64_lin
BLAS_LIBS = -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core
BLAS_LIBS_SWITCH = external
LAPACK_LIBS = -L/opt/intel/compilers_and_libraries_2017.0.098/linux/mkl/lib/intel64
LAPACK_LIBS_SWITCH = external
ELPA_LIBS_SWITCH = disabled
SCALAPACK_LIBS = -L/opt/intel/compilers_and_libraries_2017.0.098/linux/mkl/lib/intel64
FFT_LIBS = -L/opt/intel/compilers_and_libraries_2017.0.098/linux/mkl/lib/intel64
MPI_LIBS =
MASS_LIBS =
AR = /opt/intel/compilers_and_libraries_2017.0.098/linux/bin/intel64/xiar
ARFLAGS = ruv
RANLIB = ranlib
FLIB_TARGETS = all
LIBOBJS = ../clib/clib.a ../iotk/src/libiotk.a
LIBS = $(SCALAPACK_LIBS) $(LAPACK_LIBS) $(FFT_LIBS) $(BLAS_LIBS) $(MPI_LIBS) $(MASS_LIBS) $(LD_LIBS)
It would be a great help for me if anyone could share his expertise regarding this.
Thanks a lot.
