[gpaw-users] FW: GPAW install trouble

[Foster, Michael E.]

Hi,

I have been trying to install gpaw for some time now without success. I'm using the following libraries:

Intel/16.0
mkl/16.0
openmpi/1.10 (I have also tried using intel-mpi/5.1)

I have also installed the latest versions of:
ase 3.12.0
anaconda 4.3.0
libXC 3.0.0

Below is my customize.py file and attached is the output from "gpaw test".


compiler = 'mpicc'
mpicompiler = 'mpicc'
mpilinker = mpicompiler
scalapack = True
libraries = []
library_dirs = []
include_dirs = []

extra_link_args = ['-Wl,-rpath,/opt/intel-16.0/linux/mkl/lib/intel64 -Wl,-rpath,/opt/intel-16.0/compiler/lib/intel64 -L/opt/intel-16.0/linux/mkl/lib/intel64 -L/opt/intel-16.0/compiler/lib/intel64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -liomp5 -lpthread -lm -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64']
extra_compile_args = ['-O2', '-std=c99', '-w', '-fPIC']
include_dirs += ['/home/mefoste/xc/include']
library_dirs += ['/home/mefoste/xc/lib']
libraries.append('xc')
define_macros += [('GPAW_NO_UNDERSCORE_CBLACS', '1')]
define_macros += [('GPAW_NO_UNDERSCORE_CSCALAPACK', '1')]


Thanks for any help,
Mike
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