[Wien] Similar problem another user had, but I am having trouble understanding the solution

[Joshua Davis]

Dear Wien2K users
I have been running a spin polarized calculation calculation with 12.1
recently and I cam across this error that occured after LAPW0 first cycle:

forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line
Source
lapw2              000000000043C83C  fermi_tetra_              519
fermi_tmp_.F
lapw2              000000000043BCDD  fermi_                    111
fermi_tmp_.F
lapw2              000000000047A9E7  MAIN__                    278
lapw2_tmp_.F
lapw2              0000000000403E9C  Unknown               Unknown  Unknown
libc.so.6          00002B49FD10C76D  Unknown               Unknown  Unknown
lapw2              0000000000403D99  Unknown               Unknown  Unknown
cp: cannot stat `.in.tmp': No such file or directory

>   stop error

This is similar to the thread here:
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-October/017732.html

Where the answer may have been posted here:
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-October/017741.html

However I am having trouble understanding how to utilize this method.
Secondly I do not want to use  the fft packages that come with Wien2k, and
rather use fftw3 as I want to run Wien2K in parallel.

I have a computer with Ubuntu 12.04 with two six-core Xeon processors and
48 gb of ram.  My Wien2K 12.1 was compiled with ifort 13 and fftw 3.3.3.
my mpif90 was compiled with ifort 13 and MPICH 3.0.2
my fftw-3.3.3 library was compiled with ifort for any FORTRAN portions.



other info:

This is all that is written in the *.scf1 file:


          ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM  Sr1
:e__0001: OVERALL ENERGY PARAMETER IS    0.3393
          OVERALL BASIS SET ON ATOM IS LAPW


And this is all that is written in *.output1 file:


blebleble
0         P      TYPE LATTICE ASSUMED
          RELA-CALCULATION

          R-MT TIMES K-MAX IS 8.00
          MAX L IS 10     MAX L IN NONSPHERICAL MATRIXELEMENTS:  4
 NUMBER OF ATOMS IS    9
   0.09925   0.00000   0.00000
  -0.00000   0.09925   0.00000
  -0.00000  -0.00000   0.06423
  10.07508   0.00000   0.00000
   0.00000  10.07508   0.00000
   0.00000   0.00000  15.56946

For both of them they just stop writing information.

Also, while this does seem similar to the other case previously mentioned
before, they do not have 'cp: cannot stat `.in.tmp': No such file or
directory' at the end of *their* error.

Any help would be appropriated, and I can print my *.struct file if
desired, but I think this post is getting long winded.

Josh Davis
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