Re: [AMBER] CUDA single gpu usage issue

From: Ray Luo <rluo.uci.edu>
Date: Tue, 3 Mar 2020 10:16:22 -0800

Nicholas,

Can you share with us which cuda version you are using? Also on which
Linux distribution? Looks like there are some library mismatch issues
...

All the best,
Ray 
--
Ray Luo, Ph.D.
Professor of Structural Biology/Biochemistry/Biophysics,
Chemical Physics, Biomedical Engineering, and Chemical Engineering
Department of Molecular Biology and Biochemistry
University of California, Irvine, CA 92697-3900
On Tue, Mar 3, 2020 at 6:06 AM Nicholas Moyer <nmoyer.broadinstitute.org> 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
> that states the following. It looks like it just cant find that file but im
> confused about how to fix this as ive tried about everything ive seen on
> the forum with no luck.
>
> /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
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