<div dir="ltr">I agree with Peter. A problem with SIGSEGV is that the line it indicates is often not where the problem actually is. My guess would be that there is something wrong with the struct format, and/or you have no PW's. For the later try<div><br></div><div>grep -e PW case.clmval(up/dn) -A10 </div><div><br></div><div>(change case etc)</div><div><br></div><div>and see if there are NAN's present.</div></div><div class="gmail_extra"><br><div class="gmail_quote">On Wed, Nov 11, 2015 at 7:53 AM, Peter Blaha <span dir="ltr"><<a href="mailto:pblaha@theochem.tuwien.ac.at" target="_blank">pblaha@theochem.tuwien.ac.at</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Never had such a problem.<br>
<br>
Anything in case.outputm ?<br>
<br>
setn has not much to do with the actual clmsum/val file input, except<br>
when the number of PW is zero (check out clmval and clmsum and<br>
clmsum_old files, if the K-lists are ok.), as this fft array gets<br>
allocated with nkknew1<br>
<br>
Otherwise more with the struct file.<br>
<br>
Is this still ok ? Can you run x nn with this struct file ?<br>
<div><div class="h5"><br>
<br>
<br>
On 11/11/2015 02:43 PM, Elias Assmann wrote:<br>
> Hi List,<br>
><br>
> In a fairly large calculation (200 atoms) I am running I get a segfault<br>
> in mixer:<br>
><br>
> $ x mixer<br>
> forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>
> Image Routine Line Source<br>
> mixer Unknown Unknown Unknown<br>
> mixer Unknown Unknown Unknown<br>
> mixer Unknown Unknown Unknown<br>
> mixer Unknown Unknown Unknown<br>
> mixer Unknown Unknown Unknown<br>
> libpthread.so.0 Unknown Unknown Unknown<br>
> mixer setn_ 27 setn.f<br>
> mixer MAIN__ 1232 mixer.F<br>
> mixer Unknown Unknown Unknown<br>
> libc.so.6 Unknown Unknown Unknown<br>
> mixer Unknown Unknown Unknown<br>
><br>
> Line 27 in setn.f is just<br>
><br>
> FFT(1)=U0<br>
><br>
> the ‘FFT’ array corresponds to ‘cfft’ in mixer.F, and indeed<br>
><br>
> $ tail STO6LVO2_ovac.outputm<br>
> …<br>
> Allocating CLM-arrays 678 MB<br>
> Allocating nwav-arrays 57 MB<br>
> Allocating cfft-array 0 MB<br>
><br>
> Any idea where this might come from? I strongly suspect some error in<br>
> the input because another, similar, calculation is running without this<br>
> problem; but I have no idea what I might have changed to cause the error.<br>
><br>
> Here is my case.inm:<br>
><br>
> MSR1 0.0 YES (BROYD/PRATT, extra charge (+1 for additional e), norm)<br>
> 0.20 mixing FACTOR for BROYD/PRATT scheme<br>
> 1.00 1.00 PW and CLM-scaling factors<br>
> 9999 8 idum, HISTORY<br>
><br>
> The error keeps happening even after I removed case.broyd*.<br>
><br>
><br>
> Elias<br>
><br>
><br>
><br>
><br>
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><br>
<br>
--<br>
<br>
P.Blaha<br>
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</blockquote></div><br><br clear="all"><div><br></div>-- <br><div class="gmail_signature"><div dir="ltr">Professor Laurence Marks<br>Department of Materials Science and Engineering<br>Northwestern University<br><a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a><div>Corrosion in 4D: <a href="http://MURI4D.numis.northwestern.edu" target="_blank">MURI4D.numis.northwestern.edu</a><br>Co-Editor, Acta Cryst A<br>"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>Albert Szent-Gyorgi</div></div></div>
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