I got a segmentation fault when I tried to run abinit, which compiled with mkl as linalg:
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forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
libifcoremt.so.5 00002AAAB2844F0C for__signal_handl Unknown Unknown
libpthread-2.17.s 00002AAAB4D42680 Unknown Unknown Unknown
libiomp5.so 00002AAAB5259740 Unknown Unknown Unknown
libiomp5.so 00002AAAB525C02C Unknown Unknown Unknown
libifcoremt.so.5 00002AAAB2887FB9 for_deallocate Unknown Unknown
libifcoremt.so.5 00002AAAB2819CED for_dealloc_all_n Unknown Unknown
abinit 00000000005EFBDC Unknown Unknown Unknown
abinit 00000000005CE076 Unknown Unknown Unknown
abinit 00000000005A055B Unknown Unknown Unknown
abinit 0000000000559340 Unknown Unknown Unknown
abinit 000000000055039D Unknown Unknown Unknown
Compile options are below:
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./configure \
--enable-mpi --enable-openmp FC=mpifort CC=mpicc\
with_linalg_flavor="mkl"\
with_linalg_incs="-I/usr/tce/packages/mkl/mkl-2019.0/mkl/include/"\
with_linalg_libs="-L/usr/tce/packages/mkl/mkl-2019.0/mkl/lib/intel64/ -lmkl_blas95_lp64 -lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_core -lmkl_sequential -lpthread -lm"\
with_fft_flavor="fftw3"\
with_fft_libs="-L/usr/tce/packages/mkl/mkl-2019.0/mkl/lib/intel64/ -Wl,--start-group -lmkl_intel_lp64 -lmkl_core -lmkl_sequential -Wl,--end-group"
This error didn't occur when I ran small sample calculation,
(e.g. /v3/t78.in, https://forum.abinit.org/viewtopic.php?f=18&t=3970)
and also didn't occur when I compiled without mkl and fftw3:
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./configure --enable-mpi --enable-openmp FC=mpifort CC=mpicc
I'm guessing the problem is the parallelization because the small calculation had done.
But, according to other posts, mkl works with mpi...
What's the problem?
I may need mkl to calculate the response function (iscf=-3).
Or is there the appropriate linalg instead of mkl?
ABINIT version is 8.8.4, and the executable is parallelized.
For parallel version, I used "autoparal 1" in the sample file.
The used pseudopotential is "Al.GGA_PBE-JTH.xml", which is distributed in ABINIT web.
Sincerely yours,