the result of which pmemd.cuda is :
/apps/amber18/bin/pmemd.cuda
On Thu, Jan 23, 2020 at 3:03 PM Elvis Martis <elvis_bcp.elvismartis.in>
wrote:
> Is the serial version for cuda also installed??
> The error says CUDA_HOME is not set and the serial cuda installation will
> fail because of the same error.
> What is the output you get after typing “which pmemd.cuda” ? ( without
> quotes)
> On Thursday, January 23, 2020, Sruthi Sudhakar <
> sruthisudhakarraji.gmail.com>
> wrote:
>
> > 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.
> > > _______________________________________________
> > > AMBER mailing list
> > > AMBER.ambermd.org
> > > http://lists.ambermd.org/mailman/listinfo/amber
> > >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
> --
> Best Regards
> Elvis Martis
> Mumbai.
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Thu Jan 23 2020 - 02:00:02 PST
