[AMBER] Help regarding AMBER16 CUDA installation

From: Saikat Dutta chowdhury <pbr322.dutta.gmail.com>
Date: Tue, 6 Nov 2018 18:43:29 +0530

Hello Amber users

I am trying to install AmberTools17 + Amber16 in a machine which has intel
i7 + Quadro K420.

I have installed CUDA Toolkit 8.0 and set the CUDA_HOME at the .bashrc as

export CUDA_HOME=/usr/local/cuda-8.0
export PATH=$CUDA_HOME/bin:$PATH

First I installed the amber serial following the installation instructions.
And it was successful.

After that I went to AMBERHOME and configured for cuda using :

./configure -cuda gnu

This step also went well.

But when I tried installing using: "sudo make install" I got the following

make[2]: Leaving directory '/home/user/amber16/AmberTools/src/blas'
(cd pbsa && make clean && make install )
make[2]: Entering directory '/home/user/amber16/AmberTools/src/pbsa'
/bin/rm -f pbsa libpbsa.a
/bin/rm -f *.o
/bin/rm -f *.mod *__genmod.F90
/bin/rm -f *.d
make[2]: Leaving directory '/home/user/amber16/AmberTools/src/pbsa'
make[2]: Entering directory '/home/user/amber16/AmberTools/src/pbsa'
Error: CUDA_HOME is not set. This must point to your NVIDIA tools
Makefile:156: recipe for target 'configured_cuda' failed
make[2]: *** [configured_cuda] Error 2
make[2]: Leaving directory '/home/user/amber16/AmberTools/src/pbsa'
Makefile:447: recipe for target 'cuda_serial' failed
make[1]: *** [cuda_serial] Error 2
make[1]: Leaving directory '/home/user/amber16/AmberTools/src'
Makefile:7: recipe for target 'install' failed
make: *** [install] Error 2

Please help me out to solve the issue.

Thanking you in advance.

With regards,
Saikat Dutta Chowdhury
Email: pbr322.dutta.gmail.com
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Received on Tue Nov 06 2018 - 05:30:02 PST
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