On Oct 7, 2013 3:00 AM, "Pavel Ondračka" <pavel.ondra...@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
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