I am trying to add user atc package and getting the error it cannot find lapack I am using intel mkl ver11.
I have compiled atc poem reax meam without errors
…… ion_sphere.o region_union.o remap.o remap_wrap.o replicate.o respa.o run.o set.o special.o tad.o temper.o thermo.o timer.o universe.o update.o variable.o velocity.o verlet.o write_restart.o xdr_compat.o -latc -lreax -lpoems -lmeam -lfftw -lblas -llapack -lifcore -lsvml -lompstub -limf -lifcore -lsvml -lompstub -limf -lstdc++ -lpthread -lmkl_core -lguide -o …/lmp_mkl
ld: cannot find -llapack
make[1]: *** […/lmp_mkl] Error 1
if I exclude the atc all works …. What lapack library should I point it to ?
Makefile.mkl is below
Makefile.mkl
mkl = Intel Cluster Tools, mpiicc, MKL MPI, MKL FFT
Intel recommends Intel Cluster Tools Compiler Edition
to build libfftw2xc_intel.a:
> cd /opt/intel/mkl/10.0.011/interfaces/fftw2xc
> become root via su
> gmake libem64t
SHELL = /bin/sh
---------------------------------------------------------------------
compiler/linker settings
specify flags and libraries needed for your compiler
CC = mpiicc
CCFLAGS = -O2 -fno-alias -ip -unroll0
DEPFLAGS = -M
LINK = mpiicc
LINKFLAGS = -O -L/usr/local/intel.ver11/mkl/10.2.2.025/lib/em64t
#LIB = -lstdc++ -lpthread -lmkl_em64t -lguide
LIB = -lstdc++ -lpthread -lmkl_core -lguide
#LIB = -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lstdc++ -lguide
ARCHIVE = ar
ARFLAGS = -rc
SIZE = size
---------------------------------------------------------------------
LAMMPS-specific settings
specify settings for LAMMPS features you will use
LAMMPS ifdef options, see doc/Section_start.html
LMP_INC = -DLAMMPS_GZIP
MPI library, can be src/STUBS dummy lib
INC = path for mpi.h, MPI compiler settings
PATH = path for MPI library
LIB = name of MPI library
MPI_INC = -DMPICH_SKIP_MPICXX
MPI_PATH =
#MPI_LIB = -mt_mpi
MPI_LIB =
FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package
INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings
PATH = path for FFT library
LIB = name of FFT library
FFT_INC = -DFFT_INTEL
FFT_INC = -DFFT_FFTW
#FFT_INC = -DFFT_MKL -I/usr/local/intel.ver11/mkl/include/fftw
FFT_PATH =
#FFT_LIB = /usr/local/intel.ver11/mkl/10.2.2.025/lib/em64t/libfftw2xc_intel.a
FFT_LIB = -lfftw
JPEG library, only needed if -DLAMMPS_JPEG listed with LMP_INC
INC = path for jpeglib.h
PATH = path for JPEG library
LIB = name of JPEG library
JPG_INC =
JPG_PATH =
JPG_LIB =
additional system libraries needed by LAMMPS package libraries
these settings are IGNORED if the corresponding LAMMPS package
(e.g. gpu, meam) is NOT included in the LAMMPS build
SYSLIB = names of libraries
SYSPATH = paths of libraries
#gpu_SYSLIB = -lcudart
meam_SYSLIB = -lifcore -lsvml -lompstub -limf
reax_SYSLIB = -lifcore -lsvml -lompstub -limf
user-atc_SYSLIB = -lblas -llapack
#gpu_SYSPATH = -L/usr/local/cuda/lib64
meam_SYSPATH = -L/usr/local/intel.ver11/Compiler/11.1/059/lib/intel64
reax_SYSPATH = -L/usr/local/intel.ver11/Compiler/11.1/059/lib/intel64
user-atc_SYSPATH = -L/usr/local/intel.ver11/mkl/lib/em64t
---------------------------------------------------------------------
build rules and dependencies
no need to edit this section
include Makefile.package
EXTRA_INC = (LMP_INC) (PKG_INC) (MPI_INC) (FFT_INC) $(JPG_INC)
EXTRA_PATH = (PKG_PATH) (MPI_PATH) (FFT_PATH) (JPG_PATH) $(PKG_SYSPATH)
EXTRA_LIB = (PKG_LIB) (MPI_LIB) (FFT_LIB) (JPG_LIB) $(PKG_SYSLIB)
Link target
(EXE): (OBJ)
(LINK) (LINKFLAGS) (EXTRA_PATH) (OBJ) (EXTRA_LIB) (LIB) -o $(EXE)
(SIZE) (EXE)
Library target
lib: $(OBJ)
(ARCHIVE) (ARFLAGS) (EXE) (OBJ)
Compilation rules
.o:.cpp
(CC) (CCFLAGS) (EXTRA_INC) -c <
.d:.cpp
(CC) (CCFLAGS) (EXTRA_INC) (DEPFLAGS) < > @
Individual dependencies
DEPENDS = $(OBJ:.o=.d)
include $(DEPENDS)
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