The module in question was written for CUDA9 and above; I made some
provisions in the hope that it wouldn't break on CUDA7 or 8, but those are
very old CUDA compilers at this point and I didn't have access to machines
with them. I was kind of flying blind, and it looks like I didn't properly
fix the __ballot_sync(unsigned int, bool) function (which is just
__ballot(bool) in CUDA8 and below). That's why you're getting these
errors. Best solution, for performance in pmemd and going forward, is to
upgrade to CUDA10. The mdgx CUDA modules are separate from pmemd, and are
designed to run massive numbers of small GB simulations on the same GPU
(aggregate throughput tops a millisecond of TrpCage per week on a V100).
So, if all you need is pmemd.cuda, you can skip (fornow) the AmberTools
CUDA installation and just go straight to pmemd. Nevertheless, we claim to
support CUDA8 and a promise is a promise, so I will patch the problem.
Dave
On Thu, Jul 9, 2020 at 10:11 AM Camila Clemente <
camilamaraclemente.gmail.com> wrote:
> Hi
> I can't install pmemd.cuda (amber20) on Centos7.
> The following modules were loaded:
> -gcc/5
> -cuda/8.0
> -cmake/3.16.2
> -export HOME_CUDA=/opt/cuda/8.0
> -export LD_LIBRARY_PATH="/opt/cuda/8.0/lib:${LD_LIBRARY_PATH
> - add to run_cmake -DCUDA_TOOLKIT_ROOT_DIR=/opt/cuda/8.0
>
> I did the following:
>
> cd $AMBERHOME
> make clean
> ./configure -cuda gnu
> make install
>
> and the error was:
>
> Makefile:226: atención: se imponen comandos para el objetivo
> `ArraySimulator.o'
> Makefile:218: atención: se ignoran las instrucciones viejas para el
> objetivo `ArraySimulator.o'
> [MDGX] NVCC ArraySimulator.cu
> kDynamics.h(311): error: too many arguments in function call
>
> kDynamics.h(341): error: too many arguments in function call
>
> kDynamics.h(1565): error: too many arguments in function call
>
> kDynamics.h(1599): error: too many arguments in function call
>
> kDynamics.h(311): error: too many arguments in function call
>
> kDynamics.h(341): error: too many arguments in function call
>
> kDynamics.h(1565): error: too many arguments in function call
>
> kDynamics.h(1599): error: too many arguments in function call
>
> kDynamics.h(311): error: too many arguments in function call
>
> kDynamics.h(341): error: too many arguments in function call
>
> kDynamics.h(1565): error: too many arguments in function call
>
> kDynamics.h(1599): error: too many arguments in function call
>
> kDynamics.h(311): error: too many arguments in function call
>
> kDynamics.h(341): error: too many arguments in function call
>
> kDynamics.h(1565): error: too many arguments in function call
>
> kDynamics.h(1599): error: too many arguments in function call
>
> kDynamics.h(311): error: too many arguments in function call
>
> kDynamics.h(341): error: too many arguments in function call
>
> kDynamics.h(1565): error: too many arguments in function call
>
> kDynamics.h(1599): error: too many arguments in function call
>
> kDynamics.h(311): error: too many arguments in function call
>
> kDynamics.h(341): error: too many arguments in function call
>
> kDynamics.h(1565): error: too many arguments in function call
>
> kDynamics.h(1599): error: too many arguments in function call
>
> kDynamics.h(311): error: too many arguments in function call
>
> kDynamics.h(341): error: too many arguments in function call
>
> kDynamics.h(1565): error: too many arguments in function call
>
> kDynamics.h(1599): error: too many arguments in function call
>
> kDynamics.h(311): error: too many arguments in function call
>
> kDynamics.h(341): error: too many arguments in function call
>
> kDynamics.h(1565): error: too many arguments in function call
>
> kDynamics.h(1599): error: too many arguments in function call
>
> kDynamics.h(311): error: too many arguments in function call
>
> kDynamics.h(341): error: too many arguments in function call
>
> kDynamics.h(1565): error: too many arguments in function call
>
> kDynamics.h(1599): error: too many arguments in function call
>
> kDynamics.h(311): error: too many arguments in function call
>
> kDynamics.h(341): error: too many arguments in function call
>
> kDynamics.h(1565): error: too many arguments in function call
>
> kDynamics.h(1599): error: too many arguments in function call
>
> kDynamics.h(311): error: too many arguments in function call
>
> kDynamics.h(341): error: too many arguments in function call
>
> kDynamics.h(1565): error: too many arguments in function call
>
> kDynamics.h(1599): error: too many arguments in function call
>
> kDynamics.h(311): error: too many arguments in function call
>
> kDynamics.h(341): error: too many arguments in function call
>
> kDynamics.h(1565): error: too many arguments in function call
>
> kDynamics.h(1599): error: too many arguments in function call
>
> 48 errors detected in the compilation of
> "/tmp/tmpxft_00005702_00000000-21_ArraySimulator.compute_61.cpp1.ii".
> make[2]: *** [ArraySimulator.o] Error 2
> make[2]: se sale del directorio
> `/home/cclemente/amber20_src/AmberTools/src/mdgx'
> make[1]: *** [cuda_serial] Error 2
> make[1]: se sale del directorio
> `/home/cclemente/amber20_src/AmberTools/src'
> make: *** [install] Error 2
>
> Any help is appreciated
> Thanks
>
> --
> *Camila*
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Thu Jul 09 2020 - 10:00:02 PDT
