Define CUDA_HOME in your .bashrc file.
On Thursday, January 23, 2020, Sruthi Sudhakar <sruthisudhakarraji.gmail.com>
wrote:
> I am trying to build pmemd.cuda.MPI but the error mentioned above occurred.
> So where should we mention the CUDA_HOME variable. echo $CUDA_HOME gives no
> result. And also do we need any other file to build the mpi version.
>
>
>
> On Thu, Jan 23, 2020 at 3:40 PM Sruthi Sudhakar <
> sruthisudhakarraji.gmail.com> wrote:
>
> > I have even run some minimization and heating jobs using pmemd.cuda and
> > they were completed fine.
> >
> > On Thu, Jan 23, 2020 at 3:38 PM Sruthi Sudhakar <
> > sruthisudhakarraji.gmail.com> wrote:
> >
> >> 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
> >>>
> >>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Best Regards
Elvis Martis
Mumbai.
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Received on Thu Jan 23 2020 - 05:30:01 PST
