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Yambo 4.3.2 with intel 19 (core dump)

Posted: Wed Jul 10, 2019 5:03 am
by chwolf
Dear all,

I was trying to compile 4.3.2 but I am getting "core dumped" when not specifying internal linalg. has anyone had success compiling it with intel 19 compilers and linalg?

./configure --enable-int-linalg --enable-mpi gives me a working version

Code: Select all

# [VER] 4.3.2 r.134
# 
# - GENERAL CONFIGURATIONS -
# 
# [SYS] linux@x86_64
# [SRC] /usr/local/yambo-devel
# [TGT] /usr/local/yambo-devel
# [BIN] /usr/local/yambo-devel/bin
# [LIB] /usr/local/yambo-devel/lib/external
#
# [EDITOR] vim
# [ MAKE ] make
#
# [-] Double precision
# [X] Keep object files
# [X] Run-Time timing profile 
# [-] Run-Time memory profile 
#
# - SCRIPTS -
#
# [-] YDB: Yambo DataBase
# [-] YAMBOpy: Yambo Python scripts
# 
# - PARALLEL SUPPORT -
#
# [X] MPI
# [-] OpenMP
# 
# - LIBRARIES [E=external library; I?=internal library (c=to be compiled / f=found already compiled); X=system default; -=not used;] -
#
# > I/O: (NETCDF with large files support) 
#
# [ If] IOTK    : /usr/local/yambo-devel/lib/external/intel/mpiifort/lib/libiotk.a (QE no-hdf5-support)
#                 -I/usr/local/yambo-devel/lib/external/intel/mpiifort/include/
# [ - ] ETSF_IO :  
#                  
# [ If] NETCDF  : /usr/local/yambo-devel/lib/external/intel/mpiifort/v3/serial/lib/libnetcdff.a /usr/local/yambo-devel/lib/external/intel/mpiifort/v3/serial/lib/libnetcdf.a -lm -lcurl
#                 -I/usr/local/yambo-devel/lib/external/intel/mpiifort/v3/serial/include -I/usr/local/yambo-devel/lib/external/intel/mpiifort/v3/serial/include
# [ - ] HDF5    : 
#                 
#
# > MATH: (Internal FFTW3) 
#
# [ If] FFT       : /usr/local/yambo-devel/lib/external/intel/mpiifort/lib/libfftw3.a
#                   -I/usr/local/yambo-devel/lib/external/intel/mpiifort/include/
# [ If] BLAS      : /usr/local/yambo-devel/lib/external/intel/mpiifort/lib/libblas.a
# [ If] LAPACK    : /usr/local/yambo-devel/lib/external/intel/mpiifort/lib/liblapack.a
# [ - ] SCALAPACK :  
# [ - ] BLACS     : 
# [ - ] PETSC     :  
#                    
# [ - ] SLEPC     :  
#                    
#
# > OTHERs
#
# [ If] LibXC     : /usr/local/yambo-devel/lib/external/intel/mpiifort/lib/libxcf90.a /usr/local/yambo-devel/lib/external/intel/mpiifort/lib/libxc.a
#                   -I/usr/local/yambo-devel/lib/external/intel/mpiifort/include
# [ E ] MPI       : -L/usr/local/intel/compilers_and_libraries_2019.0.117/linux/mpi/intel64/lib -Xlinker --enable-new-dtags -Xlinker -rpath -Xlinker /usr/local/intel/compilers_and_libraries_2019.0.117/linux/mpi/intel64/lib/release -Xlinker -rpath -Xlinker /usr/local/intel/compilers_and_libraries_2019.0.117/linux/mpi/intel64/lib -Xlinker -rpath -Xlinker /opt/intel/mpi-rt/2017.0.0/intel64/lib/release -Xlinker -rpath -Xlinker /opt/intel/mpi-rt/2017.0.0/intel64/lib -lmpifort -lmpi -ldl -lrt -lpthread 
#                   -I/usr/local/intel/compilers_and_libraries_2019.0.117/linux/mpi/intel64/include 
#
# - COMPILERS -
#
# FC kind = intel 
# MPI kind= Intel(R) MPI Library 2019 for Linux* OS
#
# [ CPP ] icc -E -ansi  -D_MPI -D_FFTW       -D_TIMING   
# [ FPP ] fpp -free -P  -D_MPI -D_FFTW       -D_TIMING  
# [ CC  ] mpiicc -O2 -D_C_US -D_FORTRAN_US
# [ FC  ] mpiifort -assume bscc -O3 -g -ip     
# [ FCUF] -assume bscc -O0 -g  
# [ F77 ] mpiifort -assume bscc -O3 -g -ip  
# [ F77U] -assume bscc -O0 -g  
# [Cmain] -nofor_main
Any hint is very welcome!

Best,
Chris

Re: Yambo 4.3.2 with intel 19 (core dump)

Posted: Wed Jul 10, 2019 10:34 am
by Daniele Varsano
Dar Chris,
we have experienced the same problem in some machines, the problem is related to the scalar product subroutine.
At the moment the only workaround is to use the internal linear algebra.

Best,
Daniele

Re: Yambo 4.3.2 with intel 19 (core dump)

Posted: Thu Jul 11, 2019 2:35 am
by chwolf
Thank you for your reply Daniele, good to know I am not alone!