[Wien] ACML and gfortran strange segfaults.

[Vit]

Dear Prof. Blaha,
At current version (just downloaded) line 53 is
	dosold1=0.d0
As far as I know gfortran can't force I*4, but don't know about I*8 being default... It's possible to force only -fdefault-integer-8 and -fdefault-real-8.
So I'm stuck now.
Could you please suggest anything?

With best regards,
Victor Koroteev

On Wed, 08 Sep 2010 14:42:08 +0700, Peter Blaha <pblaha at theochem.tuwien.ac.at> wrote:

> 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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