On Tue, Jun 06, 2023, Pertschy, Florian via AMBER wrote:
>
>I'm trying to install Amber on our RL 8.7 cluster and tried so with
>CUDA 11.2.
>
>gcc, g++ & gfortran (Debian 10.2.1-6) 10.2.1 20210110
>GeForce RTX 3090
>
>And got the following error happening at 92% at the "Building NVCC (Device) object src/pmemd/src/xray/cuda/CMakeFiles/pmemd_xray_cuda.dir/src/xray/pmemd_xray_cuda_generated_BulkMaskGPU.cu.o" step. Full Output from 92% is attached:
Going the Mailing list archive, and searching for 'BulkMaskGPU.cu.o' in the
search box there leads to this hit:
http://archive.ambermd.org/202206/0040.html
with this workaround:
-------------------------------------------------------------------
cd amber22_src/src/pmemd/src
mv CMakeLists.txt CMakeLists.txt.original
cp CMakeLists.txt.noxray CMakeLists.txt
# rebuild
cd amber22_src/build
./clean_build
./run_cmake
make
This problem was detected during beta testing on various platforms:
RHELS 7.9 with GNU 9.1.0 and nvcc's 11.2.152, 11.1.105, 11.0.221;
CentOS 7.9 with GNU 10.2.0 and nvcc 11.1.74.
And was reported by user Felix Bangerter
on CentOS 7.8 with GNU 7.1.0 and CUDA 10.2.89.
For him the same problems did not occur when using CUDA 11.4.1.
-------------------------------------------------------------------------
It does seem to be specific nvcc versions around 11.0 to 11.2.
....dac
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Received on Tue Jun 06 2023 - 09:30:02 PDT
