Hello! I've found that in amber18/AmberTools/src/configure2 script
*sm70flags* (line 1198) seems to be incorrect:
sm70flags='-gencode arch=compute_60,code=sm_70, -gencode
arch=compute_61,code=sm_70'
Looks like correct version is (I may be wrong):
sm70flags='-gencode arch=compute_70,code=sm_70 -gencode
arch=compute_72,code=sm_72 -gencode arch=compute_75,code=sm_75'
Also I should note that on modern systems (Arch Linux x64 rolling
release, GCC 8.2.1, CUDA 10.1) -fPIC parameter is needed to compile
properly (the same behavior is valid in case of GCC 7.x.x and older
CUDAs). Here is the patch:
--- amber18/AmberTools/src/configure2 2019-02-14 12:04:44.583123213 +0300
+++ amber18/AmberTools/src/configure2 2019-02-14 12:05:00.319647178 +0300
.. -1237,6 +1237,7 ..
echo " AMBER 18 requires CUDA version 7.5, 8.0, 9.0-9.2,
or 10.0-10.2"
exit 1
fi
+ nvccflags="$nvccflags --compiler-options -fPIC"
nvcc="$nvcc $nvccflags"
fi
Glad to know if that helps!
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Received on Fri Apr 19 2019 - 07:30:02 PDT
