[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
Re: feff820 on Mac
Hi Paul,
I have been using 8.1 compiled on a Mac with the gcc compiler (and
subsequently the absoft) without problem or seg faults (except when
I forgot to increase the stack size). I do recall having to change
a flag to the absoft compiler (for larger offset sizes) but I don't
recall the details (I was a beta tester). Actually the new ibm
compiler (in beta) maybe a beta choice however there are lots of
minor (looking errors) and I didn't have the time to fix them all.
The newest version of feff on leonardo is compiled with the absoft
compiler and seems to work fine as well.
The problem is that it is compiled with only 87 atoms in the cluster
and lmax=2. I need to increase both (for metals you need at least
lmax=3).
By the way, there is no fortran compiler included with the apple
distribution -- are you using the fink version of g77?
You are right of course, sorry for the misprint.
If so, which version?
g77 3.4 (the last version from Fink).
In fact I have succeed to compile with the Absoft compiler
(nclusx=250, lmax=3) but iy is unable to find the feff.inp file! I
will check this when time available.
Thanks for your help
Best regards
Michel
--
__________________________________________
Michel Jaouen
Universite de Poitiers - UFR Sciences - SP2MI
LMP UMR 6630-CNRS
Boulevard Pierre et Marie Curie - Teleport 2
BP 30179
86962 Futuroscope - Chasseneuil Cedex
France
Tel : (33) 5 49 49 67 37
Fax : (33) 5 49 49 66 92
e-mail : Michel.Jaouen@univ-poitiers.fr
__________________________________________