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 [email protected] http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/[email protected]/index.html
