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Shahid.
On Wed, Mar 14, 2018 at 3:53 PM, malkeet singh Bahia <msbahia17.gmail.com>
wrote:
> Hello!
>
> I installed AMBER using ./configure -cuda -mpi gnu
> when i ran make test, some of the test are failed, does it has something to
> deal with installation?
> Moreover I am able to see only few files in the bin folder. Do i need to
> compile AMber without -cuda and -mpi flag as well to get the CPU related
> programs?
>
> Thanks!
>
>
> On Tue, 13 Mar 2018 at 20:37 malkeet singh Bahia <msbahia17.gmail.com>
> wrote:
>
> > in case of solely CUDA install, i tried adding following
> (CUDA_HOME/lib64
> > as per your suggestion) to my source file but still shared library error
> > exists.
> > setenv CUDA_HOME /usr/local/cuda-6.5/
> > setenv LD_LIBRARY_PATH /usr/local/cuda-6.5/lib64
> >
> >
> > On Tue, 13 Mar 2018 at 20:34 malkeet singh Bahia <msbahia17.gmail.com>
> > wrote:
> >
> >> one more thing, Do I need to modify some paths in my source file now?
> >>
> >>
> >> On Tue, 13 Mar 2018 at 20:14 malkeet singh Bahia <msbahia17.gmail.com>
> >> wrote:
> >>
> >>> Thanks!
> >>> I tried using ./configure_mpich from AMBERHOME/AMBERTOOL/////src and
> and
> >>> as per suggestions installed mpich in this directory. then running
> >>> configure script created a bin folder in AMBERHOME. bin directory
> contain
> >>> ~20 files like mpi** . Now what to do?
> >>> should i go back to amberhome and use./configure -mpi gnu ?
> >>>
> >>> Many thanks in advance!
> >>>
> >>> On Tue, 13 Mar 2018 at 18:34 Daniel Roe <daniel.r.roe.gmail.com>
> wrote:
> >>>
> >>>> On Tue, Mar 13, 2018 at 12:14 PM, malkeet singh Bahia
> >>>> <msbahia17.gmail.com> wrote:
> >>>> > Than I tried with mpi flag and getting same error as earlier (i'm
> >>>> working
> >>>> > on it)
> >>>>
> >>>> The issue with your MPI build is with your compilers, as Dave
> >>>> previously indicated. Your MPI compiler is configure for Intel, and
> >>>> your Intel license appears expired. One workaround is to download and
> >>>> unpack Mpich or Openmpi in $AMBERHOME/AmberTools/src and then use
> >>>> 'configure_mpich' or 'configure_openmpi' to build your own MPI (which
> >>>> will live in $AMBERHOME).
> >>>>
> >>>> > when i used -cuda flag the installation is complete but in make
> test,
> >>>> it
> >>>> > showed 'error while loading shared libraries:libcurand.so.6.5:
> cannot
> >>>> open
> >>>> > the shared object file.
> >>>> >
> >>>> > I have added few paths in the .cshrc file, please have a look on
> this
> >>>> and
> >>>> > tell me if anything needed to be changed
> >>>> >
> >>>> > setenv CUDA_HOME /usr/local/cuda-6.5/
> >>>> > setenv LD_LIBRARY_PATH
> >>>> > "/usr/local/cuda-6.5/targets/x86_64-linux/lib/:${LD_LIBRARY_PATH}"
> >>>> > setenv PATH "${path}:${CUDA_HOME}/bin"
> >>>>
> >>>> Try $CUDA_HOME/lib64 instead.
> >>>>
> >>>> -Dan
> >>>>
> >>>> _______________________________________________
> >>>> AMBER mailing list
> >>>> AMBER.ambermd.org
> >>>> http://lists.ambermd.org/mailman/listinfo/amber
> >>>>
> >>> --
> >>> Thanks & Warm Regards
> >>>
> >>>
> >>> Malkeet S. Bahia, PhD
> >>> Post Doctoral Fellow at the lab of Prof. Hanoch Senderowitz
> >>> PBC Indo-Israel Post-doc fellowship
> >>> Dept. of Chemistry, Building 211, Room no. 211
> >>> Bar Ilan University, Ramat Gan, 5290002, ISRAEL
> >>>
> >>> Mobile: +91-9815988501 <098159%2088501> (India, watts app only)
> >>> +972-584553434 <+972%2058-455-3434> (Israel number)
> >>>
> >> --
> >> Thanks & Warm Regards
> >>
> >>
> >> Malkeet S. Bahia, PhD
> >> Post Doctoral Fellow at the lab of Prof. Hanoch Senderowitz
> >> PBC Indo-Israel Post-doc fellowship
> >> Dept. of Chemistry, Building 211, Room no. 211
> >> Bar Ilan University, Ramat Gan, 5290002, ISRAEL
> >>
> >> Mobile: +91-9815988501 <098159%2088501> (India, watts app only)
> >> +972-584553434 <+972%2058-455-3434> (Israel number)
> >>
> > --
> > Thanks & Warm Regards
> >
> >
> > Malkeet S. Bahia, PhD
> > Post Doctoral Fellow at the lab of Prof. Hanoch Senderowitz
> > PBC Indo-Israel Post-doc fellowship
> > Dept. of Chemistry, Building 211, Room no. 211
> > Bar Ilan University, Ramat Gan, 5290002, ISRAEL
> >
> > Mobile: +91-9815988501 <098159%2088501> (India, watts app only)
> > +972-584553434 <+972%2058-455-3434> (Israel number)
> >
> --
> Thanks & Warm Regards
>
>
> Malkeet S. Bahia, PhD
> Post Doctoral Fellow at the lab of Prof. Hanoch Senderowitz
> PBC Indo-Israel Post-doc fellowship
> Dept. of Chemistry, Building 211, Room no. 211
> Bar Ilan University, Ramat Gan, 5290002, ISRAEL
>
> Mobile: +91-9815988501 (India, watts app only)
> +972-584553434 (Israel number)
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Wed Mar 14 2018 - 09:00:02 PDT