I also highly recommend that you upgrade to AmberTools 15. It is bundled
with PLUMED support (so there is no need to patch the source code before
compiling it). It worked great last time I tried it.
HTH,
Jason
On Thu, Mar 17, 2016 at 4:41 AM, <hannes.loeffler.stfc.ac.uk> wrote:
>
> > const&, PLMD::Matrix<double>&)]+0x4ef): undefined reference to `dgetri_'
> > collect2: ld returned 1 exit status
>
> This is the linker complaining that the symbol dgetri_ cannot get resolved
> (you don't show the relevant command line that was used to link the object
> files). You need to make sure that the linker uses the proper library for
> that. I think dgetri is a LAPACK function.
>
> Your shell script does not seem to have any relevant compiled time options.
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Received on Thu Mar 17 2016 - 03:30:03 PDT
