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-- 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 7, 2017 at 10:40 AM, Ray Luo <rluo.uci.edu> wrote: > Yes, it requires CUSP_HOME to build. Will ask Ruxi to find a way to > add this option in configure. > > 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 7, 2017 at 9:48 AM, Daniel Roe <daniel.r.roe.gmail.com> wrote: >> Clean GIT master: 0494517ae737e465fdd737684454526f7ad14d26 >> >> ./configure --with-python `which python` -cuda gnu >> >> ``` >> make[2]: Entering directory >> `/mnt/raid0/droe/Amber/GIT/amber-test/AmberTools/src/pbsa' >> 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 >> `/mnt/raid0/droe/Amber/GIT/amber-test/AmberTools/src/pbsa' >> 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. >> >> -Dan >> >> _______________________________________________ >> AMBER-Developers mailing list >> AMBER-Developers.ambermd.org >> http://lists.ambermd.org/mailman/listinfo/amber-developers _______________________________________________ AMBER-Developers mailing list AMBER-Developers.ambermd.org http://lists.ambermd.org/mailman/listinfo/amber-developersReceived on Tue Mar 07 2017 - 11:00:03 PST