Hi,
We need some more details. Is it Amber18 with AmberTools 18 or
AmberTools 19. What options were given to 'configure'? Are all updates
applied?
-Dan
On Wed, Sep 4, 2019 at 5:50 AM Sunita Patel <sunita.patel.cbs.ac.in> wrote:
>
> Dear users,
>
> I tried installing Amber 18 as end user in HPC. However, could not
> installed Amber18 which I already mentioned in the mailing list. Then I
> asked system admin of HPC to install it for me.
>
> They tried installing with Intel Compilers 2015, using intel mpi 4.1 and
> encountered the following errors.
>
> Request for help to solve it.
>
> Sincerely,
> Sunita
> -------------------------------------snippet of error------------------
>
> ibpme_standalone.h(389): error: function call must have a constant value in
> a constant expression static constexpr long double epsilon = 10.0 *
> std::numeric_limits
> <long double>::epsilon(); libpme_standalone.h(2174): error: namespace
> "std" has no member "runtime_error" throw std::runtime_error("Unexpected
> complex eigenvalues encountered while making shape matrix.");
> ----------------------------------------------------------------------------------
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Received on Mon Sep 16 2019 - 08:00:02 PDT
