ABINIT 7.4.2 and BigDFT configure error
Posted: Fri Sep 13, 2013 9:13 pm
I'm trying to build with BigDFT, version 1.7-dev.28, and run into the following problem:
If I leave bigdft out, it configures and builds just fine. I even tried an older version, 1.7-dev.21, but same thing. Here is my configure options:
The cluster I'm on using Rocks 5(base os is centos 5), but I've build the entire stack with gcc-4.6.1.
conftest.F90:9.38:
call init_restart_objects(iproc,iacceleration,atoms,rst,routine)
1
Error: Type mismatch in argument 'matacc' at (1); passed INTEGER(4) to TYPE(material_acceleration)
configure:34066: $? = 1
configure: failed program was:
| program main
|
| use bigdft_api
| implicit none
| integer iproc,iacceleration
| type(atoms_data) :: atoms
| type(restart_objects) :: rst
| character(len=*),parameter :: routine = "conftest"
| call init_restart_objects(iproc,iacceleration,atoms,rst,routine)
|
| end
configure:34073: result: no
configure:34823: error: external bigdft support does not work
If I leave bigdft out, it configures and builds just fine. I even tried an older version, 1.7-dev.21, but same thing. Here is my configure options:
Code: Select all
prefix="/share/apps/abinit/7.4.2"
enable_mpi="yes"
with_mpi_prefix="/share/apps/openmpi/1.4.3-gcc-4.6.1"
enable_connectors="yes"
with_trio_flavor="netcdf+etsf_io+fox"
with_etsf_io_incs="-I/share/apps/etsf_io/1.0.3-gcc-4.6.1/include/gcc"
with_etsf_io_libs="-L/share/apps/etsf_io/1.0.3-gcc-4.6.1/lib/ -letsf_io_low_level -letsf_io_utils -letsf_io"
with_fox_incs="-I/share/apps/FoX/4.1.0-gcc-4.6.1/finclude"
with_fox_libs="-L/share/apps/FoX/4.1.0-gcc-4.6.1/lib -lFoX_sax -lFoX_utils -lFoX_common -lFoX_fsys"
with_netcdf_incs="-I/share/apps/netcdf/4.2.1.1/include"
with_netcdf_libs="-L/share/apps/netcdf/4.2.1.1/lib -lnetcdff -lnetcdf"
with_fft_flavor="fftw3"
with_fft_incs="-I/share/apps/fftw-3.3.3-float/include"
with_fft_libs="-L/share/apps/fftw-3.3.3-float/lib -lfftw3f -lfftw3 -lm"
with_linalg_flavor="goto+scalapack"
with_linalg_incs="-I/share/apps/mathLibraries/OpenBLAS/0.2.8/include"
with_linalg_libs="-L/share/apps/mathLibraries/OpenBLAS/0.2.8/lib -lopenblas -lscalapack"
with_math_flavor="gsl"
with_math_incs="-I/share/apps/gsl/1.15/include"
with_math_libs="-L/share/apps/gsl/1.15/lib -lgsl -lgslcblas -lm"
with_dft_flavor="atompaw+libxc+bigdft+wannier90"
with_atompaw_bins="/share/apps/atompaw/4.0.0.1/bin"
with_atompaw_libs="-L/share/apps/atompaw/4.0.0.1/lib -latompaw"
with_bigdft_incs="-I/share/apps/bigdft/1.7-dev.21/include"
with_bigdft_libs="-L/share/apps/bigdft/1.7-dev.21/lib -lbigdft -labinit -lbigdft_common"
with_libxc_incs="-I/share/apps/libxc/2.0.1-gcc-4.6.1/include"
with_libxc_libs="-L/share/apps/libxc/2.0.1-gcc-4.6.1/lib -lxc"
with_wannier90_bins="/share/apps/wannier90/1.2-gcc-4.6.1/"
with_wannier90_libs="-L/share/apps/wannier90/1.2-gcc-4.6.1/ -lwannier90 -lm"The cluster I'm on using Rocks 5(base os is centos 5), but I've build the entire stack with gcc-4.6.1.