Hi;
I’m trying to install amber24 on a node with AMD 300A gpus. I successfully installed amber on older chips.
During compilation I get the following errors :
In file included from /usr/workspace/ncpbr/software/amber/patched/amber24_src/src/pmemd/src/cuda/kCalculateCoarseGridEnergy.cu:156:
/usr/workspace/ncpbr/software/amber/patched/amber24_src/src/pmemd/src/cuda/kCCGE.h:248:36: error: 'tex1Dfetch<HIP_vector_type<float, 2>, nullptr>' is unavailable: The image/texture API not supported on the device
248 | PMEFloat2 term = tex1Dfetch<float2>(cSim.texLJTerm, index);
In file included from /usr/workspace/ncpbr/software/amber/patched/amber24_src/src/pmemd/src/cuda/kCalculateCoarseGridEnergy.cu:161:
/usr/workspace/ncpbr/software/amber/patched/amber24_src/src/pmemd/src/cuda/kCCGE.h:122:36: error: 'tex1Dfetch<HIP_vector_type<float, 2>, nullptr>' is unavailable: The image/texture API not supported on the device
122 | PMEFloat2 term = tex1Dfetch<float2>(cSim.texLJTerm, index);
…..
| ^
8 errors generated when compiling for gfx942.
failed to execute:/opt/rocm-6.2.1/lib/llvm/bin/clang++ --offload-arch=gfx942 --offload-arch=gfx942 --offload-arch=gfx942 --offload-arch=gfx942 -x hip /usr/workspace/ncpbr/software/amber/patched/amber24_src/src/pmemd/src/cuda/kCalculateCoarseGridEnergy.cu -c -o "/usr/workspace/ncpbr/software/amber/patched/amber24_src/build/amber/src/pmemd/src/cuda/CMakeFiles/pmemd_cuda_SPFP.dir//./pmemd_cuda_SPFP_generated_kCalculateCoarseGridEnergy.cu.o" -m64 -Duse_SPFP -DAMBER_PLATFORM_AMD -DAMBER_PLATFORM_AMD_WARP64 -DUSE_MKSTEMP -D_GNU_SOURCE -DBINTRAJ -DCUDA -DGTI -DVKFFT -D__HIP_PLATFORM_AMD__=1 -DUSE_PROF_API=1 -fPIC -DAMBER_PLATFORM_AMD -fPIC -std=c++14 -O3 -std=c++14 -w -ffast-math -fgpu-rdc -D __HIPCC_RDC__ -Duse_SPFP -DNVCC -I/opt/rocm-6.2.1/include/hipsparse/ -I/opt/rocm-6.2.1/include/hipblas/ -I/opt/rocm-6.2.1/include/hipfft/ -I/opt/rocm-6.2.1/include -I/opt/rocm-6.2.1/include/hip -I/opt/rocm-6.2.1/include/ -I/usr/workspace/ncpbr/software/amber/patched/amber24_src/src/pmemd/src/. -I/opt/rocm-6.2.1/include/hipsparse -I/opt/rocm-6.2.1/include/hipblas -I/opt/rocm-6.2.1/include/hipfft -I/opt/rocm-6.2.1/include/rocrand -I/opt/rocm-6.2.1/include/hiprand
CMake Error at pmemd_cuda_SPFP_generated_kCalculateCoarseGridEnergy.cu.o.Release.cmake:281 (message):
Error generating file
/usr/workspace/ncpbr/software/amber/patched/amber24_src/build/amber/src/pmemd/src/cuda/CMakeFiles/pmemd_cuda_SPFP.dir//./pmemd_cuda_SPFP_generated_kCalculateCoarseGridEnergy.cu.o
The CPUs are EPYC 24C “Genoa” cores
I am using :
GNU compilers 12.2.0
Cuda 12.2.2
Rocm 6.2.1
And used the options in the “compile_with_hip.sh” file. The code is fully patched.
In addition to the errors above, I also observed the following during at the end of the amber configuration:
-- Amber will be installed to /usr/workspace/ncpbr/software/amber24_tou/
-- Configuring done
CMake Error in src/pmemd/src/cuda/CMakeLists.txt:
HIP_ARCHITECTURES is empty for target "pmemd_cuda_SPFP".
CMake Error in src/pmemd/src/cuda/CMakeLists.txt:
HIP_ARCHITECTURES is empty for target "pmemd_cuda_DPFP".
-- Generating done
CMake Generate step failed. Build files cannot be regenerated correctly.
Any suggestions on how to proceed?
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Received on Thu Jan 02 2025 - 05:30:02 PST
