undefined reference to |
- Date: 2017/11/21 05:03
- Name: Riemann
<riemann.derakhshan@gmail.com>
- Dear OpenMX developers and users,
Hope You are doing well.
I modified makefile of OpenMX 3.8 such as below:
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
MPI_ROOT="/opt/openmpi"
FFT_ROOT="/usr/local"
FFT_ROOT_INC="/usr/local"
MKL_ROOT="/opt/intel/mkl"
CC = ${MPI_ROOT}/bin/mpicc -qopenmp -O3 -xHOST -I${FFT_ROOT_INC}/include -I${MKL_ROOT}/include -I${MPI_ROOT}/include
FC = ${MPI_ROOT}/bin/mpif90 -qopenmp -O3 -xHOST -I${FFT_ROOT_INC}/include -I${MKL_ROOT}/include -I${MPI_ROOT}/include
LIB = -L${MPI_ROOT}/lib -lmpi_f77 -lmpi_f90 -L${FFT_ROOT}/lib -lfftw3f \
-L${MKL_ROOT}/lib/intel64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_intel_thread -L/opt/intel/lib/intel64 -limf -lm -L/opt/intel/lib/intel64 -lifcore
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
But during the installation process, I faced this errors:
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
openmx.o: In function `main':
openmx.c:(.text+0x9d3): undefined reference to `cellopt'
openmx.c:(.text+0xf25): undefined reference to `Stress_test'
openmx.c:(.text+0x12c6): undefined reference to `TRAN_Main_Analysis'
openmx.c:(.text+0x1311): undefined reference to `TRAN_Main_Analysis_NC'
openmx.c:(.text+0x1321): undefined reference to `Output_Energy_Decomposition'
openmx.c:(.text+0x13e1): undefined reference to `Check_Stress'
openmx.c:(.text+0x14da): undefined reference to `DFTD3vdW_init'
DFT.o: In function `DFT':
DFT.c:(.text+0xad4): undefined reference to `Mixing_H'
DFT.c:(.text+0xc2e): undefined reference to `EC'
DFT.c:(.text+0x1455): undefined reference to `EC'
DFT.c:(.text+0x290c): undefined reference to `Stress'
DFT.c:(.text+0x4b7b): undefined reference to `Unfolding_Bands'
DFT.c:(.text+0x4baa): undefined reference to `Unfolding_Bands'
DFT.c:(.text+0x563d): undefined reference to `Calc_NAO_Krylov'
DFT.c:(.text+0x5676): undefined reference to `Calc_NAO_Cluster'
Mixing_DM.o: In function `Mixing_DM':
Mixing_DM.c:(.text+0x164): undefined reference to `ADIIS_Mixing_DM'
DIIS_Mixing_Rhok.o: In function `Inverse2':
DIIS_Mixing_Rhok.c:(.text+0x7b02): undefined reference to `Eigen_lapack3'
DIIS_Mixing_Rhok.c:(.text+0x7f83): undefined reference to `Eigen_lapack3'
Runtest.o: In function `Runtest':
Runtest.c:(.text+0x12ff): undefined reference to `TRAN_Main_Analysis'
Runtest.c:(.text+0x134b): undefined reference to `TRAN_Main_Analysis_NC'
makefile:225: recipe for target 'openmx' failed
make: *** [openmx] Error 1
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
I will be so thankful if anyone can help me to fix this errors.
Yours Sincerely
Riemann
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