Re: [AMBER] Multiple GPU imstallation of AMBER 18 error

From: Sruthi Sudhakar <sruthisudhakarraji.gmail.com>
Date: Thu, 23 Jan 2020 13:47:11 +0530

But Serial version is already installed.

On Thu, 23 Jan 2020 at 1:36 PM, Elvis Martis <elvis_bcp.elvismartis.in>
wrote:

> You will have to define CUDA_HOME as the error says. Install CUDA serial
> first
> ./configure -cuda gnu
> On Thursday, January 23, 2020, Sruthi Sudhakar <
> sruthisudhakarraji.gmail.com>
> wrote:
>
> > Respected group members,
> >
> > Previously I have written a mail regarding the installation of GPU
> > accelerated version of AMBER and was suggested to first do the single gpu
> > installation at first. That installation was successful and jobs are
> > running smoothly using pmemd.cuda. But now we want to do the parallel
> > installation as well. Should we begin the installation from the beginning
> > or just follow the next step from the manual, that is begin from
> >
> > ./configure -cuda -mpi -gnu
> > When I continued with this step , I got the following error message:
> > Error: CUDA_HOME is not set. This must point to your NVIDIA tools
> > installation
> > Configure failed due to the errors above!
> > Please suggest how to proceed further.
> >
> >
> > Thank you
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
> --
> Best Regards
> Elvis Martis
> Mumbai.
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>
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Received on Thu Jan 23 2020 - 00:30:02 PST
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