[Pw_forum] the vcsmd.f90

Stefano de Gironcoli degironc at sissa.it
Mon Nov 17 14:19:32 CET 2008


Dear QJ Wang,
does this occur at the first iteration of a new run or after some 
iterations? Or is it a continuation run ?
line 151 is a reading line from a file that should have been generated 
previously.
a guess is that the file has been corrupted or is not accessible or that 
a previously generated file (with a different number of items in it) has 
been left behind.
Hope this help
.... please don't forget to provide your affiliation.

Stefano de Gironcoli - SISSA and DEMOCRITOS

wangqj1 wrote:
> Dear all
> After I installed the espresso-4.0.3,I use pw.x to do vc-relax,but it 
> turned up as following and stoped:
> total stress (Ry/bohr**3) (kbar) P= 43.49
> 0.00029630 0.00000000 0.00000000 43.59 0.00 0.00
> 0.00000000 0.00029630 0.00000000 0.00 43.59 0.00
> 0.00000000 0.00000000 0.00029429 0.00 0.00 43.29
> At line 151 of file vcsmd.f90
> Fortran runtime error: Bad real number in item 33 of list input
> I don't know what's wrong , I installed Federo core 8 which bring 
> fortran95 compiler of itself . What should I do ?
> Any help will be appreciated !
> Q J Wang
>
>
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