Never had such a problem.

Anything in case.outputm ?

setn has not much to do with the actual clmsum/val file input, except when the number of PW is zero (check out clmval and clmsum and clmsum_old files, if the K-lists are ok.), as this fft array gets allocated with nkknew1

Otherwise more with the struct file.

Is this still ok ? Can you run   x nn    with this struct file ?



On 11/11/2015 02:43 PM, Elias Assmann wrote:
Hi List,

In a fairly large calculation (200 atoms) I am running I get a segfault
in mixer:

$ x mixer
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image               Routine            Line        Source
mixer               Unknown               Unknown  Unknown
mixer               Unknown               Unknown  Unknown
mixer               Unknown               Unknown  Unknown
mixer               Unknown               Unknown  Unknown
mixer               Unknown               Unknown  Unknown
libpthread.so.0     Unknown               Unknown  Unknown
mixer               setn_                      27  setn.f
mixer               MAIN__                   1232  mixer.F
mixer               Unknown               Unknown  Unknown
libc.so.6           Unknown               Unknown  Unknown
mixer               Unknown               Unknown  Unknown

Line 27 in setn.f is just

       FFT(1)=U0

the ‘FFT’ array corresponds to ‘cfft’ in mixer.F, and indeed

$ tail STO6LVO2_ovac.outputm
…
  Allocating CLM-arrays          678  MB
  Allocating nwav-arrays          57  MB
  Allocating cfft-array            0  MB

Any idea where this might come from?  I strongly suspect some error in
the input because another, similar, calculation is running without this
problem; but I have no idea what I might have changed to cause the error.

Here is my case.inm:

MSR1   0.0   YES  (BROYD/PRATT, extra charge (+1 for additional e), norm)
0.20            mixing FACTOR for BROYD/PRATT scheme
1.00  1.00      PW and CLM-scaling factors
9999  8         idum, HISTORY

The error keeps happening even after I removed case.broyd*.


        Elias




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