[Wien] ACML and gfortran strange segfaults.

[Peter Blaha]

I'm not sure if I read the output of gdb correctly and if it is of any help.

It complains about subroutine ados (line 53 ???, but this is a comment in my source ?? are you using
the current version ??)
and the statement "dosold1=0.d0".
The latter is "problematic", because dosold1 is only real*8, but still it is valid in Fortran
to have automatic type conversions. Furthermore, any reference to DOSOLD1 should occur ONLY
if "rxesw or rxes" is true, which should not happen in normal tetra calculations.
?????

Just a guess: Since the problems occur in kgen and tetra, they could be "related".
One guess would be, that these very old programs use integer arrays as real ones
in some subroutines.
It implies that integer is I*4, while real is *8

Could your gfortran by default use I*8 variables ? Then switch this off.


Am 08.09.2010 09:13, schrieb Vit:
> Here are some additions with debbugin symbols enabled and gdb:
>
> (gdb) run tetra.def Starting program: /opt/wien_2k/tetra tetra.def [Thread debugging using libthread_db enabled]
>
> Program received signal SIGSEGV, Segmentation fault. 0x00000000004073ba in ados (ns=DWARF-2 expression error: DW_OP_reg operations must be used either alone or in conjuction with
> DW_OP_piece. ) at ados.f:53 53 dosold1=0.d0 (gdb) bt #0 0x00000000004073ba in ados (ns=DWARF-2 expression error: DW_OP_reg operations must be used either alone or in conjuction
> with DW_OP_piece. ) at ados.f:53 #1 0x0000000000406292 in arbdos (nflow=DWARF-2 expression error: DW_OP_reg operations must be used either alone or in conjuction with DW_OP_piece.
> ) at arbdos.f:30 #2 0x0000000000404301 in tetra () at tetra.f:286 #3 0x0000000000408bea in main () #4 0x00002aaaab68ac4d in __libc_start_main () from /lib/libc.so.6 #5
> 0x0000000000400f39 in _start ()
>
> Looking forward for your answer,
> Koroteev Victor.
>
>     Dear Wien2k community!
>     I've compiled Wien2k_10.1 with ACML and gfortran with self compiled fftw2 and scalapack. Now we have segfaults running kgen and tetra.
>     Here is some info:
>     kgen
>     root at thunder /opt/wien_2k # ldd kgen
>     linux-vdso.so.1 => (0x00007fff46d7a000)
>     libpthread.so.0 => /lib/libpthread.so.0 (0x00002b0d86432000)
>     libgfortran.so.3 => /usr/lib/libgfortran.so.3 (0x00002b0d8664e000)
>     libm.so.6 => /lib/libm.so.6 (0x00002b0d8693b000)
>     libgcc_s.so.1 => /lib/libgcc_s.so.1 (0x00002b0d86bbd000)
>     libc.so.6 => /lib/libc.so.6 (0x00002b0d86dd3000)
>     /lib64/ld-linux-x86-64.so.2 (0x00002b0d86212000)
>
>     dmesg:
>     [506583.894669] kgen[12028] trap divide error ip:40576a sp:7fff1c8f45a0 error:0 in kgen[400000+a000]
>
>     tetra
>     root at thunder /opt/wien_2k # ldd tetra
>     linux-vdso.so.1 => (0x00007fffaafff000)
>     libpthread.so.0 => /lib/libpthread.so.0 (0x00002b175df06000)
>     libgfortran.so.3 => /usr/lib/libgfortran.so.3 (0x00002b175e122000)
>     libm.so.6 => /lib/libm.so.6 (0x00002b175e40f000)
>     libgcc_s.so.1 => /lib/libgcc_s.so.1 (0x00002b175e691000)
>     libc.so.6 => /lib/libc.so.6 (0x00002b175e8a7000)
>     /lib64/ld-linux-x86-64.so.2 (0x00002b175dce6000)
>
>     dmesg:
>     [506609.316764] tetra[12095]: segfault at 4 ip 00000000004073ba sp 00007fff95de75e0 error 6 in tetra[400000+a000]
>
>     OPTIONS
>     current:FOPT:-ffree-form -O2
>     current:FPOPT:-ffree-form -O2
>     current:LDFLAGS:$(FOPT) -lpthread
>     current:DPARALLEL:'-DParallel'
>     current:R_LIBS:-L/opt/acml4.4.0/gfortran64/lib -lacml
>     current:RP_LIBS:-L/opt/scalapack/lib -lscalapack -lblacsF77 -lblacsC -lblacs -lblacsF77 -lblacsC -L/usr/lib/openmpi/lib -lmpi -L/opt/acml4.4.0/gfortran64/lib -lacml
>     -L/opt/fftw2/lib -lfftw_mpi -lfftw -lm -lpthread
>     current:MPIRUN:mpirun -n _NP_ -machinefile _HOSTS_ _EXEC_
>
>     Could you please push me on where to look?
>     With best regards,
>     Koroteev Victor
>     Junior researcher
>     NIIC SB RAS.
>
>     P.S. I don't want to install ifort and mkl, because it costs much for academics (and personal licenses don't suit).
>
>
>
>
> --
>
>
>
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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