[DFTB-Plus-User] No run for Arpack library. error while loading shared libraries: libarpack.so.2: cannot open shared object file: No such file or directory

[Ben Hourahine]

Dear Seong,


are you using the excited state functionality? If this is not important,
you can compile the code without the routines that use ARPACK. To do
this, edit the file make.config and set


WITH_ARPACK := 0


then

make disclean
make dftb+

Alternatively, if you need this functionality to be present, the
possibilities are either:

1) Build a static arpack library and link against this (the .a form
instead of .so)
or

2) Get the shared library installed on the computation nodes, or add to
your dynalic library path (see the discussion at
https://stackoverflow.com/questions/13428910/how-to-set-the-environmental-variable-ld-library-path-in-linux
for example).

Regards

Ben

On 23/06/17 16:20, 이인성 (화학과) wrote:
>
> Hello, DFTB+ developers
>
>
> I have a problem when I run DFTB+ 1.3 version.
>
>
> When I use the provided binary, then it works well.
>
> However, my binary does not work in computational cluster when I
> directly compile DFTB+.
>
>
> Surprisingly, my binary obtained from direct compilation does work in
> login node in our cluster.
>
> But, the same binary does not work in computation node in our cluster.
>
>
> Generally, we submit the job into our computation node, not login node.
>
> The following is the error message.
>
>
> directory/dftb+: error while loading shared libraries: libarpack.so.2:
> cannot open shared object file: No such file or directory
>
>
> How can I solve this problem when I run dftb+ in the computational node?
>
>
> Thanks.
>
>
> In Seong Lee.
>
>
>
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-- 
      Dr. B. Hourahine, SUPA, Department of Physics,
    University of Strathclyde, John Anderson Building,
            107 Rottenrow, Glasgow G4 0NG, UK.
    +44 141 548 2325, benjamin.hourahine at strath.ac.uk

2013/4 THE Awards Entrepreneurial University of the Year
      2012/13 THE Awards UK University of the Year

   The University of Strathclyde is a charitable body,
        registered in Scotland, number SC015263

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