[Wien] compilation of wien2k_04
Ravindran Ponniah
ravindran.ponniah at kjemi.uio.no
Thu Sep 9 12:29:38 CEST 2004
Hello,
I have downloaded WIEN2k_04.tar and installing it in a SUN
machine. I found the following problem.
1. SRC_supercell/supercell.f Line = 50, Column = 132: ERROR: Label 5 is
not defined in this scoping unit.
I have to change line 50 to
if (LATTIC.ne.'P' .and. LATTIC.ne.'B' .and.LATTIC.ne.'F' .and. LATTIC.ne.'H'.and. &
LATTIC.ne.'CXY'.and. LATTIC.ne.'CXZ') goto 510
See line continuation &
2. SRC_clmcopy/clmcopy.f the two lines
##
logical kdelta
external kdelta
##
have to be added ( I have seen this in the mailing list) but not yet
updated in the download code.
3. SRC_afminput/afminput.f
###
f90 -Bstatic -fast -O3 -dalign -free -c afminput.f
Egret: Assertion failure at iir.c:1404, last src=afminput.f:428
make: *** [afminput.o] Error 1
###
I don't know how to solve this problem. Anybody know the solution for this
?
Best regards
Ravi
*****************************************************************
Dr.P.Ravindran, Associate Professor |
Department of Chemistry |Tel work: +47 22 85 56 06
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Email: ponniah.ravindran at kjemi.uio.no |
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