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 > --