As I said before, line 53 must not be reached in normal execution (unless you specified some extra switch).
I don't know what else I should suggest. Am 08.09.2010 13:35, schrieb 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). >>> >>> >>> >>> >>> -- >>> >>> >>> >>> _______________________________________________ >>> Wien mailing list >>> Wien at zeus.theochem.tuwien.ac.at >>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> > > > -- > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- P.Blaha -------------------------------------------------------------------------- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-15671 FAX: +43-1-58801-15698 Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/ --------------------------------------------------------------------------