[AMBER-Developers] CUDA build fails for PBSA

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Tue, 7 Mar 2017 12:48:58 -0500

Clean GIT master: 0494517ae737e465fdd737684454526f7ad14d26

./configure --with-python `which python` -cuda gnu

make[2]: Entering directory
Error: CUSP_HOME is not properly set. This must point to your CUSP
library installation.
make[2]: *** [.cuda_precheck] Error 2
make[2]: Leaving directory
make[1]: *** [cuda_serial] Error 2

The message offers no clues as to what CUSP_HOME is supposed to refer
to but I assume it's this: https://developer.nvidia.com/cusp

CUSP appears to come with CUDA 8.0 (at least there is a libcusparse.so
in the lib64 subdir). However, some fiddling around shows PBSA expects
CUSP_HOME to point to something that has a /cusp subdirectory. I'm
guessing previously this was an add-on install for CUDA?

Bottom line is that currently it seems that CUDA-enabled PBSA depends
on this, but it is not properly checked for during configure. Probably
configure should search for CUSP and set a config.h variable pointing
to it, or leave it blank if not found. The entire CUDA install
shouldn't fail just because this one piece isn't there.


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Received on Tue Mar 07 2017 - 10:00:03 PST
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