Hi. I recently installed abinit-7.2.2 and abinit-7.4.1 on our linux cluster with openmpi-1.4.3-intel64-v12.0.4, but I always get the failure message on tests/v2:
Case_13 failed
Case_18 failed
Case_21 failed (too large absolute error : 3.599e-03 , accepted 2.510e-10 )
It seems that these tests have used ANADDB or related subroutines. By the way I have used the following compiling options:
CC="mpicc"
CXX="mpic++"
FC="mpif90"
F77="mpif77"
enable_mpi="yes"
enable_mpi_io="no"
with_mpi_level="2"
with_linalg_flavor="mkl"
with_linalg_incs="-I/opt/intel/composerxe-2011.4.191/include/intel64/lp64"
with_linalg_libs="-L/opt/intel/composerxe-2011.4.191/mkl/lib/intel64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group -lpthread"
with_dft_flavor="atompaw+libxc+wannier90"
enable_gw_dpc="yes"
I have tried to use the "enable_64bit=yes" but the result is the same.
Thank you.
Test failure on ANADDB
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Please have a look at ~abinit/doc/config/build-config.ac in the source package for detailed and up-to-date information about the configuration of Abinit 8 builds.
For a video explanation on how to build Abinit 7.x for Linux, please go to: http://www.youtube.com/watch?v=DppLQ-KQA68.
IMPORTANT: when an answer solves your problem, please check the little green V-like button on its upper-right corner to accept it.
Please have a look at ~abinit/doc/config/build-config.ac in the source package for detailed and up-to-date information about the configuration of Abinit 8 builds.
For a video explanation on how to build Abinit 7.x for Linux, please go to: http://www.youtube.com/watch?v=DppLQ-KQA68.
IMPORTANT: when an answer solves your problem, please check the little green V-like button on its upper-right corner to accept it.
Re: Test failure on ANADDB
Hi,
with these soft versions :
intel 12.1.4 + mkl 10.3
openmpi 1.6.4
and
with this ac file
all tests succeed
with these soft versions :
intel 12.1.4 + mkl 10.3
openmpi 1.6.4
and
with this ac file
Code: Select all
enable_mpi="yes"
enable_mpi_io="yes"
with_mpi_prefix="/home/naps/buildbot/openmpi_intel"
with_trio_flavor="etsf_io+netcdf"
with_dft_flavor="atompaw+bigdft+libxc+wannier90"
with_fft_flavor="fftw3"
with_fft_libs="-L/usr/local/intel/composerxe/mkl/lib/intel64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group"
with_linalg_flavor="mkl"
with_linalg_libs="-L/usr/local/intel/composerxe/mkl/lib/intel64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group"
enable_clib="yes"
enable_gw_dpc="yes"all tests succeed
------
Jean-Michel Beuken
Computer Scientist
Jean-Michel Beuken
Computer Scientist