Compiler option for abinit-7.6.2
Posted: Mon Apr 07, 2014 9:30 am
Hi, all.
I am using Intel fortran compiler v14.0 (composer_xe_2013_sp1.0.080) to compile abinit-7.6.2. It seems to end successfully. However, when I run the tests, those with ixc=11 (e.g. v1/t19) will fail and give error messages as "segmentation fault". When I change ixc from 11 to 1, the calculation becomes OK.
I have tried to change some options like enable_64bit_flags, but it did not work. Finally I set fcflags_opt_41_xc_lowlevel="-O0", and all tests end successfully.
My system is intel64 (Xeon) / Red Hat Enterprise Linux. The compiler options are as follows.
----------------------
CC="mpicc"
CXX="mpic++"
FC="mpif90"
F77="mpif77"
fcflags_opt_41_xc_lowlevel="-O0"
enable_mpi="yes"
enable_mpi_io="no"
with_mpi_level="2"
with_linalg_flavor="mkl"
with_linalg_incs="-I/opt/intel/composer_xe_2013_sp1.0.080/mkl/include/intel64/lp64"
with_linalg_libs="-L/opt/intel/composer_xe_2013_sp1.0.080/mkl/lib/intel64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group -lpthread"
with_dft_flavor="libxc+atompaw"
enable_gw_dpc="yes"
------------------
Thank you.
I am using Intel fortran compiler v14.0 (composer_xe_2013_sp1.0.080) to compile abinit-7.6.2. It seems to end successfully. However, when I run the tests, those with ixc=11 (e.g. v1/t19) will fail and give error messages as "segmentation fault". When I change ixc from 11 to 1, the calculation becomes OK.
I have tried to change some options like enable_64bit_flags, but it did not work. Finally I set fcflags_opt_41_xc_lowlevel="-O0", and all tests end successfully.
My system is intel64 (Xeon) / Red Hat Enterprise Linux. The compiler options are as follows.
----------------------
CC="mpicc"
CXX="mpic++"
FC="mpif90"
F77="mpif77"
fcflags_opt_41_xc_lowlevel="-O0"
enable_mpi="yes"
enable_mpi_io="no"
with_mpi_level="2"
with_linalg_flavor="mkl"
with_linalg_incs="-I/opt/intel/composer_xe_2013_sp1.0.080/mkl/include/intel64/lp64"
with_linalg_libs="-L/opt/intel/composer_xe_2013_sp1.0.080/mkl/lib/intel64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group -lpthread"
with_dft_flavor="libxc+atompaw"
enable_gw_dpc="yes"
------------------
Thank you.
), the support of intel 14 ( composer_xe_2013_sp1.2.144 ) with libxc 2.0.3 is made : all tests succeeded…