Re: [AMBER] Compiling MPI 3D-RISM

From: Rakesh Srivastava <allahabad.21.gmail.com>
Date: Wed, 10 Jul 2019 23:37:51 +0530

Thanks, Tyler for your kind help. When I typed "./configure —full-help",
as you suggested, got the following Architecture/compiler error. I am using
Linux (Ubuntu 18.04) with i5 machine, 7th generation. I am working with
Amber16.

Error: Architecture/compiler '—full-help' is not supported!
       Type './configure -help' for options.
Configure failed due to the errors above!

Could you please suggest me something?
Thanks.

Rakesh Srivastava
Research Fellow
School of Computational & Integrative Sciences
Jawaharlal Nehru University, New Delhi-110067
India



On Wed, Jul 10, 2019 at 8:33 PM Tyler Luchko <tluchko.lists.gmail.com>
wrote:

> 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
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> _______________________________________________
> AMBER mailing list
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>
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Received on Wed Jul 10 2019 - 11:30:02 PDT
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