[gmx-users] Problems when running gromacs

[Mark Abraham]

Hi,

When you built GROMACS, it knew where lapack was installed, but now you are
running under some different environment. Depending how it is different,
you either want to say where it should be found, or build GROMACS for the
right environment, or build GROMACS to link statically.

Mark

On Wed, Jun 29, 2016 at 12:57 AM Faust SHI <shi86 at wisc.edu> wrote:

> Hi sir,
>
> I faced problems when running gromacs in Linux. I have  installed Gromacs
> 5.1.2 following quick and dirty installation in
> http://manual.gromacs.org/documentation/5.1.2/install-guide/index.html.
> And there was no error occurring when  I configured and installed the
> program. However I received error information when I submit my sh file to
> the server. The error information is
> "/share/apps/gromacs_5.1.2/bin/gmx_mpi: error while loading shared
> libraries: liblapack.so.3: cannot open shared object file: No such file or
> directory” I have searched on Internet and found no useful solution to that
> problem. Do you have any suggestion? Thanks!
>
>
> Yours sincerely,
>
> Faust
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