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)
Dear Salman,
I attached a set of files used to produce a 3D slices of potential (or
e-density) along Z-axis using LAPW5 and MATLAB.
"t-Se.in5c_tmpl" is a template input file for LAPW5.
"run_lapw5.sh" is a script that will generate a set of input files, will
run LAPW5 using them and store the
Dear Salman,
I attached a set of files used to produce a 3D slices of potential (or
e-density) along Z-axis using LAPW5 and MATLAB.
"t-Se.in5c_tmpl" is a template input file for LAPW5.
"run_lapw5.sh" is a script that will generate a set of input files, will
run LAPW5 using them and store the
I had the same problem when I used the wrong -qarch. I had to specify pwr7
and the default from siteconfig is pwr5. If you want to find out the system
architecture issue the prtconf command.
On Oct 7, 2013 3:00 AM, "Pavel Ondračka" wrote:
> Dear WIEN2k mailing list,
>
> this is a follow up to thr
Oliver Albertini píše v Po 07. 10. 2013 v 07:56 -0700:
> I had the same problem when I used the wrong -qarch. I had to specify
> pwr7 and the default from siteconfig is pwr5. If you want to find out
> the system architecture issue the prtconf command.
>
Dear Oliver,
thank for advice, however prtc
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 orbit
I can confirm that this is a "real problem", which was undetected for
two reasons:
a) It is active ONLY when ISPLIT=15 in case.struct. Thus you must have
set this manually. However, I doubt that this kind of splitting
(according to +/-m) is very informative. Instead, use the qtl program !
b)
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