[AMBER] CUDA single gpu usage issue

From: Nicholas Moyer <nmoyer.broadinstitute.org>
Date: Tue, 3 Mar 2020 09:03:58 -0500

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 - 06:30:03 PST
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