Hi all,
I have built Amber 2016 with CUDA, but "make test" gives me the "error" below consistently for every tests:
---------------------------------------------
Running Extended CUDA Implicit solvent tests.
Precision Model = DPFP
---------------------------------------------
cd trpcage/ && ./Run_md_trpcage DPFP /my-install/tests/amber/amber-2016/include/netcdf.mod
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
diffing trpcage_md.out.GPU_DPFP with trpcage_md.out
possible FAILURE: check trpcage_md.out.dif
Another thing I noticed, totally irrelevant to CUDA, is that the file " mm_pbsa_nabnmode" is available in $AMBERHOME/bin after "configure gnu" and "make install", but it disappears after "configure -mpi gnu" and "make install". Is this the way should be?
Thanks,
Huian
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Received on Mon Jun 06 2016 - 06:30:02 PDT
