NaN after cvs update !!!!

Harald Forbert harald.... at theochem.ruhr-uni-bochum.de
Fri Oct 23 12:20:57 UTC 2009


There are problems with the Intel compiler, yes, but the sparse matrix
problem is probably not one of them. I have a fix that I am currently
testing (If somebody wants to help me, tell me), it involves wrong
upper
bounds for array pointers in  . dbcsr_operations__nametype1__.template
I probably would have commited the change already, but there is
something
else that got broken together with the intel compiler during the last
month, I am
still trying to pin that one down.

> there is a serious problem with Intel compiler (as far as I know there
> is no version which is compiling cleanly cp2k after the introduction of
> the new sparse matrix type). The problem is located on several
> architectures (included quad-core opteron).
> I'm aware of a couple of guys that are trying to see if it is possible
> to find a workaround for this issue but no news at the moment.
> The hope is that either Intel will come out with a bug fix or somebody
> will patch the problem.
>



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