Re: [AMBER] Compiling MPI 3D-RISM

From: Tyler Luchko <tluchko.lists.gmail.com>
Date: Wed, 10 Jul 2019 08:02:59 -0700

Hi Rakesh,

The command you want is

./configure -mpi -rism gnu

You can also type ./configure —full-help to get a full list of options.

Tyler

On Wed, Jul 10, 2019 at 3:50 AM Rakesh Srivastava <allahabad.21.gmail.com>
wrote:

> Dear AMBER users, I would like to know if anyone has done the compilation
> of RISM in parallel (MPI version) because I get an error on running the
> command "./configure -mpi -rismmpi gnu" as given in manual. The error is
> the following:
>
> Error: Unknown flag: -rismmpi
> Type './configure -help' for options.
> Configure failed due to the errors above!
>
> It would be helpful if someone could provide some idea.
> Thanks in advance.
>
> Rakesh Srivastava
> Research Fellow
> School of Computational & Integrative Sciences
> Jawaharlal Nehru University, New Delhi-110067
> India
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> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Wed Jul 10 2019 - 08:30:01 PDT
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