[Wien] ‘mixer’ crashes when forces too large

[Elias Assmann]

I had a problem with a calculation that ran peacefully for a while,
but then crashed in ‘mixer’ with the error

    forrtl: severe (59): list-directed I/O syntax error, unit -5, file 
Internal List-Directed Read
    Image              PC                Routine            Line Source
    mixer              000000000050704D  Unknown               Unknown 
Unknown
    mixer              0000000000505B55  Unknown               Unknown 
Unknown
    mixer              00000000004AD449  Unknown               Unknown 
Unknown
    mixer              0000000000460288  Unknown               Unknown 
Unknown
    mixer              000000000045FA98  Unknown               Unknown 
Unknown
    mixer              00000000004837C1  Unknown               Unknown 
Unknown
    mixer              000000000048109B  Unknown               Unknown 
Unknown
    mixer              00000000004286BE  scfana_                   365 
scfana.f
    mixer              000000000040C2DC  MAIN__                    364 
mixer.F
    mixer              000000000040411C  Unknown               Unknown 
Unknown
    libc.so.6          00002AB1180EC994  Unknown               Unknown 
Unknown
    mixer              0000000000404029  Unknown               Unknown 
Unknown

Upon investigation, I found that the cause of the crash was a line

    :FSU033:  33.ATOM 120503.840520617-118793.163618910  -4395.235042983 
  19749.475095455

in the ‘scf’ file, which it had tried to read as [scfana.f:365]

    READ(MARGN(18:120),*)FHELP(1:4) !READ(MARGN,740) (FHELP(j),j=1,4)

(where ‘margn’ contains the whole line).

I do not attach a patch because I am not sure how this should be
fixed, e.g.

  * change scfana.f to formatted input,

  * change whatever writes this line to list-directed output, or even

  * emit an error when the forces are so large (?)

In this case I will simply change the line in the ‘scf’ and see how the
calculation goes on from there.

	Elias