[Wien] Segmentation fault in f7splt (lapw2)

[Oliver Albertini]

I had the same problem when I used the wrong -qarch. I had to specify pwr7
and the default from siteconfig is pwr5. If you want to find out the system
architecture issue the prtconf command.
On Oct 7, 2013 3:00 AM, "Pavel Ondračka" <pavel.ondracka at email.cz> wrote:

> Dear WIEN2k mailing list,
>
> this is a follow up to thread "compilation problems on AIX with xlf90".
> I've finally managed to compile WIEN2k_13 on AIX 5.3,
> however I'm now getting a segfault when running lapw2.
>
> Segmentation fault in f7splt at line 51 in file "" ($t1)
> could not read "f7splt.f"
> (dbx) where
> f7splt(alm = (...), blm = (...), clm = (...), mult = 2, uenorm =
> 0.0028448010014590045, num = 1, coord = '     ', dmat = (...)), line 51
> in "f7splt.f"
> csplit(0xfffffffffd8f50c, 0xfffffffffd8f510, 0xfffffffffd8a718,
> 0xfffffffffd8976c, 0xfffffffffd8f67c, 0x11023fe30, 0x110250590,
> 0x110260cf0), line 78 in "csplit.f"
> l2main(0xfffffffffffe340, 0xfffffffffffdb84, 0xfffffffffffe518,
> 0x1101ac4b0, 0x110000b88, 0xfffffffffffdb80, 0xfffffffffffdb90,
> 0xfffffffffffdc48), line 1313 in "l2main_tmp_.F"
> lapw2(), line 605 in "lapw2_tmp_.F"
>
> The corresponding lines looks like this:
> 51  dmat(i,j,num)=dmat(i,j,num) + (alm(j)*conjg(alm(i))+ &
> 52  blm(j)*conjg(blm(i))*uenorm+clm(j)*conjg(clm(i))+ &
> 53
> alm(j)*conjg(clm(i))*pi12lo(ipip,3)+clm(j)*conjg(alm(i))*pi12lo(ipip,3)+
> &
> 54
> blm(j)*conjg(clm(i))*pe12lo(ipip,3)+clm(j)*conjg(blm(i))*pe12lo(ipip,3)
> ) / mult
>
> Going through all the variables shows suspicious value of ipip =
> -2147483648, which is used as array index for pi12lo an pe12lo causing
> the segfault.
> By grepping through SRC_lapw2 directory I can see, that all other
> subroutines which use ipip do something like this:
> $grep "ipip=" *
> csplit.f: ipip=max(ilo(l),1)
> d5splt.f: ipip=max(ilo(2),1)
> p3splt.f: ipip=max(ilo(1),1)
>
> I'm wondering if there is some similar initialization statement missing
> in f7splt.f and what should be ipip set to?
>
> Also I hope this isn't just some result of my inexperienced efforts to
> make WIEN compile on ancient AIX 5.3 or some other bad configuration.
>
> Best regards
> Pavel Ondračka
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20131007/cd3852f3/attachment.htm>