Yes sir. Even when that was done, we could not complete the installation.
So I had reinstalled everything once again. Now I could get all the
executables. Sander.MPI and pmemd.cuda.MPI executables are both present
now. I have not done the test yet.
On Fri, 24 Jan 2020 at 5:21 PM, Elvis Martis <elvis_bcp.elvismartis.in>
wrote:
> Did you apply all update patches before compiling serial amber??
>
> On Friday, January 24, 2020, Sruthi Sudhakar <sruthisudhakarraji.gmail.com
> >
> wrote:
>
> > I have defined cuda home and continued with the installation. The
> > ./configure -cuda -mpi gnu command gets completed. When we do make
> install
> > the following error occurred:
> > kRMSFit.h(106): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (PMEDouble *, PMEDouble)
> >
> > kRMSFit.h(192): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, PMEDouble)
> >
> > kRMSFit.h(163): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(164): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(165): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(168): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(169): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(170): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(173): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(174): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(175): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(181): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(182): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(183): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(185): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(186): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(187): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(106): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (PMEDouble *, PMEDouble)
> >
> > kRMSFit.h(192): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, PMEDouble)
> >
> > kRMSFit.h(163): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(164): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(165): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(168): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(169): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(170): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(173): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(174): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(175): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(181): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(182): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(183): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(185): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(186): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > kRMSFit.h(187): error: no instance of overloaded function "atomicAdd"
> > matches the argument list
> > argument types are: (double *, double)
> >
> > 34 errors detected in the compilation of
> > "/tmp/tmpxft_00007234_00000000-20_kCalculateNEBForces.cpp4.ii".
> > make[5]: *** [kCalculateNEBForces.o] Error 2
> > make[5]: Leaving directory `/apps/amber18/src/pmemd/src/cuda'
> > make[4]: *** [cuda_spfp_libs] Error 2
> > make[4]: Leaving directory `/apps/amber18/src/pmemd/src'
> > make[3]: *** [cuda_parallel_SPFP] Error 2
> > make[3]: Leaving directory `/apps/amber18/src/pmemd/src'
> > make[2]: *** [cuda_parallel] Error 2
> > make[2]: Leaving directory `/apps/amber18/src/pmemd'
> > make[1]: *** [cuda_parallel] Error 2
> > make[1]: Leaving directory `/apps/amber18/src'
> > make: *** [install] Error 2
> >
> > On Thu, Jan 23, 2020 at 9:08 PM Elvis Martis <elvis_bcp.elvismartis.in>
> > wrote:
> >
> > > The original tar files for AMBER and AMBERTools contain all files you
> > need
> > > for installation.
> > > For CUDA installation files, visit the NVIDIA website for the same.
> > >
> > > On Thursday, January 23, 2020, Sruthi Sudhakar <
> > > sruthisudhakarraji.gmail.com>
> > > wrote:
> > >
> > > > Thank you sir. I will do the same and check once again. I hope we
> don't
> > > > need any other files for installation.
> > > >
> > > > On Thu, Jan 23, 2020 at 8:09 PM David Case <david.case.rutgers.edu>
> > > wrote:
> > > >
> > > > > On Thu, Jan 23, 2020, Sruthi Sudhakar wrote:
> > > > > >
> > > > > >./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
> > > > >
> > > > > I agree with Elvis that this is odd, since CUDA_HOME would have had
> > > > > to have been defined when you configured the serial version.
> > > > >
> > > > > If you didn't install CUDA yourself, you may need to search your
> > > > > computer to find out where it is installed (or ask whoever carried
> > > > > out the installation). The default location is in /usr/local/cuda.
> > > > > See if that folder exists--it is probably a link to something like
> > > > > /usr/local/cuda-10.0 (or some other version number). Set CUDA_HOME
> > to
> > > > > point to this folder.
> > > > >
> > > > > ....dac
> > > > >
> > > > >
> > > > > _______________________________________________
> > > > > 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.
> _______________________________________________
> AMBER mailing list
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> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Fri Jan 24 2020 - 21:00:02 PST
