<div dir="ltr">Optimization level may also be a factor. It's hard to say what the difference in compilation is for instance -O0 -> -O3 -> -O5. It is interesting to note that the seg fault occurs for both of us in f7splt which (I believe) is a part of the code that calculates the relative occupation of the f orbitals. I was calculating TiC when I saw that error, a system where I would not expect that code to be used. I think there are many 'unnoticed' bugs with these optimizations. For instance, compiling lapack: -O0 complies with IEEE NaN specs, while -O3 does not. But then again, it may just be a pwr5 issue.<div>
<br></div><div style>Maybe try pwr3 -O5, pwr3 -O3, pwr5 -O3, or pwr5 -O0.</div></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Mon, Oct 7, 2013 at 9:55 AM, Pavel Ondračka <span dir="ltr"><<a href="mailto:pavel.ondracka@email.cz" target="_blank">pavel.ondracka@email.cz</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Oliver Albertini píše v Po 07. 10. 2013 v 07:56 -0700:<br>
<div class="im">> I had the same problem when I used the wrong -qarch. I had to specify<br>
> pwr7 and the default from siteconfig is pwr5. If you want to find out<br>
> the system architecture issue the prtconf command.<br>
><br>
</div>Dear Oliver,<br>
<br>
thank for advice, however prtconf reports: "Processor Type:<br>
PowerPC_POWER5" so I should be probably fine with -qarch=pwr5, also it's<br>
kinda strange that you fixed this by setting pwr7. I thought that those<br>
optimization flags were forward compatible...<br>
<br>
For example: IBM docs I've just googled states that -qarch=pwr3<br>
"Produces object code containing instructions that will run on the<br>
POWER5, POWER5+, POWER6, or POWER7 hardware platforms"<br>
<br>
So IMHO compiling with -qarch=pwr5 for pwr7 shouldn't break anything<br>
unless some other weird stuff is going on.<br>
<br>
Best regards<br>
<span class="HOEnZb"><font color="#888888">Pavel Ondračka<br>
</font></span><div class="HOEnZb"><div class="h5"><br>
> On Oct 7, 2013 3:00 AM, "Pavel Ondračka" <<a href="mailto:pavel.ondracka@email.cz">pavel.ondracka@email.cz</a>><br>
> wrote:<br>
> Dear WIEN2k mailing list,<br>
><br>
> this is a follow up to thread "compilation problems on AIX<br>
> with xlf90".<br>
> I've finally managed to compile WIEN2k_13 on AIX 5.3,<br>
> however I'm now getting a segfault when running lapw2.<br>
><br>
> Segmentation fault in f7splt at line 51 in file "" ($t1)<br>
> could not read "f7splt.f"<br>
> (dbx) where<br>
> f7splt(alm = (...), blm = (...), clm = (...), mult = 2, uenorm<br>
> =<br>
> 0.0028448010014590045, num = 1, coord = ' ', dmat =<br>
> (...)), line 51<br>
> in "f7splt.f"<br>
> csplit(0xfffffffffd8f50c, 0xfffffffffd8f510,<br>
> 0xfffffffffd8a718,<br>
> 0xfffffffffd8976c, 0xfffffffffd8f67c, 0x11023fe30,<br>
> 0x110250590,<br>
> 0x110260cf0), line 78 in "csplit.f"<br>
> l2main(0xfffffffffffe340, 0xfffffffffffdb84,<br>
> 0xfffffffffffe518,<br>
> 0x1101ac4b0, 0x110000b88, 0xfffffffffffdb80,<br>
> 0xfffffffffffdb90,<br>
> 0xfffffffffffdc48), line 1313 in "l2main_tmp_.F"<br>
> lapw2(), line 605 in "lapw2_tmp_.F"<br>
><br>
> The corresponding lines looks like this:<br>
> 51 dmat(i,j,num)=dmat(i,j,num) + (alm(j)*conjg(alm(i))+ &<br>
> 52 blm(j)*conjg(blm(i))*uenorm+clm(j)*conjg(clm(i))+ &<br>
> 53<br>
> alm(j)*conjg(clm(i))*pi12lo(ipip,3)+clm(j)*conjg(alm(i))*pi12lo(ipip,3)+<br>
> &<br>
> 54<br>
> blm(j)*conjg(clm(i))*pe12lo(ipip,3)+clm(j)*conjg(blm(i))*pe12lo(ipip,3)<br>
> ) / mult<br>
><br>
> Going through all the variables shows suspicious value of ipip<br>
> =<br>
> -2147483648, which is used as array index for pi12lo an pe12lo<br>
> causing<br>
> the segfault.<br>
> By grepping through SRC_lapw2 directory I can see, that all<br>
> other<br>
> subroutines which use ipip do something like this:<br>
> $grep "ipip=" *<br>
> csplit.f: ipip=max(ilo(l),1)<br>
> d5splt.f: ipip=max(ilo(2),1)<br>
> p3splt.f: ipip=max(ilo(1),1)<br>
><br>
> I'm wondering if there is some similar initialization<br>
> statement missing<br>
> in f7splt.f and what should be ipip set to?<br>
><br>
> Also I hope this isn't just some result of my inexperienced<br>
> efforts to<br>
> make WIEN compile on ancient AIX 5.3 or some other bad<br>
> configuration.<br>
><br>
> Best regards<br>
> Pavel Ondračka<br>
><br>
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</div></div></blockquote></div><br></div>