Good Afternoon,
I have tried make install in the src/pmemd and it seems to install but
then if I try and make test it fails each one. I am currently re-installing
from scratch as you had suggested as it still had several cuda.mpi in some
of the folders after the clean command. Here is some info I forgot to add
in my original email. Thank you for all the suggestions so far !
OS: Ubuntu 18.04
shell: bash
compiler: gnu
CUDA toolkit: 10.1.243
amber: 18
amber-toolkit: 19
On Tue, Mar 3, 2020 at 10:09 AM David A Case <david.case.rutgers.edu> wrote:
> On Tue, Mar 03, 2020, Nicholas Moyer wrote:
>
> >so ive been having an error with CUDA. I have been dealing with an
> annoying
> >CUDA issue where basically i have Amber18/ambertools19 installed and set
> >with multiple gpu's but when i try to configure amber for single GPU usage
> >compiles but when trying to make install it gives me a huge error block
>
> The error involves pbsa.cuda, which may not be the program you really
> want (most people are more eager to run pmemd.cuda). If that is the
> case, after the configure step, do this:
>
> cd src/pmemd
> make install
>
> That will install just pmemd.cuda, whose installation is better tested.
> (Of course, you may still have problems, since for most people, building
> pbsa.cuda gives no problems. If things still don't work, provide some
> details about your OS, compiler and CUDA toolkit versions. Also, since
> you apparently previously installed the cuda.MPI versions, and are now
> trying to get the cuda serial codes, start from a completely fresh
> directory tree, just in case something left over from the MPI install
> is causing problems.)
>
> I'm cc-ing this to Ray Luo, in case he may have a better handle on
> recognizing the problem.
>
> ...good luck...dac
>
>
> >
> >/usr/bin/ld: warning: libcublasLt.so.10, needed by
> >/opt/CUDA/cuda-toolkit/targets/x86_64-linux/lib/libcublas.so, not found
> >(try using -rpath or -rpath-link)
> >/opt/CUDA/cuda-toolkit/targets/x86_64-linux/lib/libcublas.so: undefined
> >reference to `cublasLtShutdownCtx.libcublasLt.so.10'
> >/opt/CUDA/cuda-toolkit/targets/x86_64-linux/lib/libcublas.so: undefined
> >reference to `cublasLtGetProperty.libcublasLt.so.10'
> >/opt/CUDA/cuda-toolkit/targets/x86_64-linux/lib/libcublas.so: undefined
> >reference to `init_gemm_select.libcublasLt.so.10'
> >/opt/CUDA/cuda-toolkit/targets/x86_64-linux/lib/libcublas.so: undefined
> >reference to `runGemmShortApi.libcublasLt.so.10'
> >/opt/CUDA/cuda-toolkit/targets/x86_64-linux/lib/libcublas.so: undefined
> >reference to `cublasLtMatmulAlgoGetHeuristic.libcublasLt.so.10'
> >/opt/CUDA/cuda-toolkit/targets/x86_64-linux/lib/libcublas.so: undefined
> >reference to `gemm_utilization.libcublasLt.so.10'
> >/opt/CUDA/cuda-toolkit/targets/x86_64-linux/lib/libcublas.so: undefined
> >reference to `cublasLtMatmul.libcublasLt.so.10'
> >/opt/CUDA/cuda-toolkit/targets/x86_64-linux/lib/libcublas.so: undefined
> >reference to `free_gemm_select.libcublasLt.so.10'
> >/opt/CUDA/cuda-toolkit/targets/x86_64-linux/lib/libcublas.so: undefined
> >reference to `cublasLtCtxInit.libcublasLt.so.10'
> >/opt/CUDA/cuda-toolkit/targets/x86_64-linux/lib/libcublas.so: undefined
> >reference to `cublasLtMatmulAlgoInit.libcublasLt.so.10'
> >/opt/CUDA/cuda-toolkit/targets/x86_64-linux/lib/libcublas.so: undefined
> >reference to `runGemmApi.libcublasLt.so.10'
> >/opt/CUDA/cuda-toolkit/targets/x86_64-linux/lib/libcublas.so: undefined
> >reference to `cublasLtGetCudartVersion.libcublasLt.so.10'
> >/opt/CUDA/cuda-toolkit/targets/x86_64-linux/lib/libcublas.so: undefined
> >reference to `cublasLtGetVersion.libcublasLt.so.10'
> >collect2: error: ld returned 1 exit status
> >Makefile:156: recipe for target 'pbsa.cuda' failed
> >make[2]: *** [pbsa.cuda] Error 1
> >make[2]: Leaving directory '/opt/amber18/AmberTools/src/pbsa'
> >Makefile:447: recipe for target 'cuda_serial' failed
> >make[1]: *** [cuda_serial] Error 2
> >make[1]: Leaving directory '/opt/amber18/AmberTools/src'
> >Makefile:7: recipe for target 'install' failed
> >make: *** [install] Error 2
>
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Received on Tue Mar 03 2020 - 10:30:02 PST
