I wonder if this could be caused by the fftpack. The fftpack was fine in
11.1, but it was broken in 12.1 and required fixes to fft_modules.F and
vresp.F. The fft_modules.F looks fixed in 13.1. So far I haven't notice
any problems, but maybe a case has been found that still needs the patch
to vresp.F
(http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-November/017911.html).
So my suggestion would be to try the patch or compile using serial
settings with a fftw library (e.g., search the mail archive for DFFTW3).
On 9/4/2013 10:29 PM, 西村 真一 wrote:
Dear Wien2k users,
I met problem in -eece calcualtion.
The operation I did was as follow;
1. init
2. runsp
3. save -d xxx
4. edit case.ineece (copied from SRC_templates)
5. runsp -eece
After the 2nd lapw2, "x lapw0 -eece" failed.
The output is:
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
lapw0 00000000004804A0 MAIN__ 695 lapw0.F
lapw0 000000000040388C Unknown Unknown Unknown
libc.so.6 00002B38BDBC3C8D Unknown Unknown Unknown
lapw0 0000000000403789 Unknown Unknown Unknown
0.036u 0.004s 0:00.04 75.0% 0+0k 0+40io 0pf+0w
The line #695 of lapw0.F for ver.12.1 (#704 for ver.13.1) is
clmsp(j,lm1,jatom,1)=clmsp(j,lm1,jatom,1)*sqfp.
This problem does not occur in WIEN2k ver.11.1a, while ver.12.1 and ver.13.1
gave the same error.
The compiler and the linked libraries are same. (Intel Composer XE 2013.5.192)
Thanks in advance,
Shinichi Nishimura
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