Gromacs could find the Adaptivecpp/hipSYCL compiler

User discussions
1

GROMACS version:2025.2
GROMACS modification: No
I try to install gromacs with GPU support (AMD).
Cmake flags:
cmake
-DGMX_GPU=SYCL
-DCMAKE_C_COMPILER=/opt/rocm/llvm/bin/clang
-DCMAKE_CXX_COMPILER=/opt/rocm/llvm/bin/clang++
-DGMX_SYCL=ACPP
-DCMAKE_INSTALL_PREFIX=/usr/local/gromacs2
-DHIPSYCL_TARGETS=‘hip:gfx1012’
-DAdaptiveCpp_DIR=/opt/adaptivecpp1/lib/cmake
..

Error:

CMake Error at cmake/gmxManageSyclAdaptiveCpp.cmake:153 (message):
AdaptiveCpp/hipSYCL compiler not working:

Change Dir:
‘/home/alex/tutorial1/gromacs-2025.2/build/CMakeTmpAdaptiveCppTest’

Run Build Command(s): /usr/bin/cmake -E env VERBOSE=1 /usr/bin/gmake -f
Makefile

/usr/bin/cmake -S/home/alex/tutorial1/gromacs-2025.2/cmake/AdaptiveCppTest
-B/home/alex/tutorial1/gromacs-2025.2/build/CMakeTmpAdaptiveCppTest
–check-build-system CMakeFiles/Makefile.cmake 0

/usr/bin/cmake -E cmake_progress_start
/home/alex/tutorial1/gromacs-2025.2/build/CMakeTmpAdaptiveCppTest/CMakeFiles
/home/alex/tutorial1/gromacs-2025.2/build/CMakeTmpAdaptiveCppTest//CMakeFiles/progress.marks

/usr/bin/gmake -f CMakeFiles/Makefile2 all

gmake[1]: вход в каталог
«/home/alex/tutorial1/gromacs-2025.2/build/CMakeTmpAdaptiveCppTest»

/usr/bin/gmake -f CMakeFiles/AdaptiveCppTest.dir/build.make
CMakeFiles/AdaptiveCppTest.dir/depend

gmake[2]: вход в каталог
«/home/alex/tutorial1/gromacs-2025.2/build/CMakeTmpAdaptiveCppTest»

cd /home/alex/tutorial1/gromacs-2025.2/build/CMakeTmpAdaptiveCppTest &&
/usr/bin/cmake -E cmake_depends “Unix Makefiles”
/home/alex/tutorial1/gromacs-2025.2/cmake/AdaptiveCppTest
/home/alex/tutorial1/gromacs-2025.2/cmake/AdaptiveCppTest
/home/alex/tutorial1/gromacs-2025.2/build/CMakeTmpAdaptiveCppTest
/home/alex/tutorial1/gromacs-2025.2/build/CMakeTmpAdaptiveCppTest
/home/alex/tutorial1/gromacs-2025.2/build/CMakeTmpAdaptiveCppTest/CMakeFiles/AdaptiveCppTest.dir/DependInfo.cmake

gmake[2]: выход из каталога
«/home/alex/tutorial1/gromacs-2025.2/build/CMakeTmpAdaptiveCppTest»

/usr/bin/gmake -f CMakeFiles/AdaptiveCppTest.dir/build.make
CMakeFiles/AdaptiveCppTest.dir/build

gmake[2]: вход в каталог
«/home/alex/tutorial1/gromacs-2025.2/build/CMakeTmpAdaptiveCppTest»

[ 50%] Building CXX object CMakeFiles/AdaptiveCppTest.dir/main.cpp.o

/usr/local/lib/cmake/AdaptiveCpp/syclcc-launcher
–launcher-cxx-compiler=/opt/rocm/llvm/bin/clang++
–launcher-syclcc=/usr/local/bin/acpp -Wno-unknown-cuda-version
-Wno-unknown-attributes --acpp-targets=“HIP”
–acpp-clang=/opt/rocm/llvm/bin/clang++ /opt/rocm/llvm/bin/clang++ -isystem
/usr/local/include/AdaptiveCpp -O3 -DNDEBUG -ffast-math
-DHIPSYCL_ALLOW_INSTANT_SUBMISSION=1 -DACPP_ALLOW_INSTANT_SUBMISSION=1
-fgpu-inline-threshold=99999 -Wno-deprecated-declarations -MD -MT
CMakeFiles/AdaptiveCppTest.dir/main.cpp.o -MF
CMakeFiles/AdaptiveCppTest.dir/main.cpp.o.d -o
CMakeFiles/AdaptiveCppTest.dir/main.cpp.o -c
/home/alex/tutorial1/gromacs-2025.2/cmake/AdaptiveCppTest/main.cpp

error: unable to load plugin ‘/usr/local/bin/../lib/libacpp-clang.so’:
‘/usr/local/bin/../lib/libacpp-clang.so: undefined symbol:
_ZTIN4llvm2cl18GenericOptionValueE’

gmake[2]: *** [CMakeFiles/AdaptiveCppTest.dir/build.make:78:
CMakeFiles/AdaptiveCppTest.dir/main.cpp.o] Ошибка 1

gmake[2]: выход из каталога
«/home/alex/tutorial1/gromacs-2025.2/build/CMakeTmpAdaptiveCppTest»

gmake[1]: *** [CMakeFiles/Makefile2:83: CMakeFiles/AdaptiveCppTest.dir/all]
Ошибка 2

gmake[1]: выход из каталога
«/home/alex/tutorial1/gromacs-2025.2/build/CMakeTmpAdaptiveCppTest»

gmake: *** [Makefile:91: all] Ошибка 2

Call Stack (most recent call first):
cmake/gmxManageSycl.cmake:45 (include)
CMakeLists.txt:726 (include)

Please, help!

2

This seems to suggest that AdaptiveCpp is not built correctly. To see what went wrong, could you please:

  1. Check the output of acpp-info -l that your GPU is visible.
  2. Share the output of acpp --acpp-version to see how AdaptiveCpp is built.
  3. Share the output of acpp -O3 --acpp-targets=hip:gfx1012 ./cmake/AdaptiveCppTest/main.cpp (running from the GROMACS source directory!)
3

=================Backend information===================
Loaded backend 0: HIP
Found device: AMD Radeon RX 6700 XT
Loaded backend 1: OpenMP
Found device: AdaptiveCpp OpenMP host device
Loaded backend 2: OpenCL
(no devices found)

acpp --acpp-version

acpp [AdaptiveCpp compilation driver], Copyright (C) 2018-2025 Aksel Alpay and the AdaptiveCpp project
AdaptiveCpp version: 25.02.0+git.f6f39bb5.20250606.branch.develop
Installation root: /usr/local
Plugin LLVM version: 18, can accelerate CPU: False
Available runtime backends:
librt-backend-hip.so
librt-backend-omp.so
librt-backend-ocl.so

Full configuration [can be overridden using environment variables or command line arguments]:
default-rocm-path: /opt/rocm
default-rocm-link-line: -Wl,-rpath=$ACPP_ROCM_PATH/lib -Wl,-rpath=$ACPP_ROCM_PATH/hip/lib -L/opt/rocm/lib -L/opt/rocm/hip/lib -lamdhip64
default-rocm-cxx-flags: -isystem $ACPP_PATH/include/AdaptiveCpp/hipSYCL/std/hiplike -isystem /usr/lib/llvm-18/lib/clang/18/include/.. -U__FLOAT128__ -U__SIZEOF_FLOAT128__ -I$ACPP_ROCM_PATH/include -I$ACPP_ROCM_PATH/include --rocm-device-lib-path=$ACPP_ROCM_PATH/amdgcn/bitcode --rocm-path=$ACPP_ROCM_PATH -fhip-new-launch-api -mllvm -amdgpu-early-inline-all=true -mllvm -amdgpu-function-calls=false -D__HIP_ROCclr__
version-major: 25
version-minor: 02
version-patch: 0
version-suffix: +git.f6f39bb5.20250606.branch.develop
plugin-linked-into-llvm: false
plugin-llvm-version-major: 18
plugin-with-cpu-acceleration: false
plugin-with-sscp-compiler: false
default-clang: /usr/lib/llvm-18/bin/clang++
default-targets: omp
default-cpu-cxx: /opt/rocm/llvm/bin/clang++
default-use-bootstrap-mode: false
default-is-dryrun: false
default-use-accelerated-cpu: false
default-clang-include-path: /usr/lib/llvm-18/lib/clang/18/include/..
default-sequential-link-line: -L/usr/lib/x86_64-linux-gnu -lboost_context -lboost_fiber -Wl,-rpath=/usr/lib/x86_64-linux-gnu
default-sequential-cxx-flags: -I/usr/include -D_ENABLE_EXTENDED_ALIGNED_STORAGE
default-omp-link-line: -L/usr/lib/x86_64-linux-gnu -lboost_context -lboost_fiber -Wl,-rpath=/usr/lib/x86_64-linux-gnu -fopenmp
default-omp-cxx-flags: -I/usr/include -fopenmp -D_ENABLE_EXTENDED_ALIGNED_STORAGE
default-is-explicit-multipass: false
default-save-temps: false

acpp -O3 --acpp-targets=hip:gfx1012 ./cmake/AdaptiveCppTest/main.cpp

atal error: cannot open file ‘/opt/rocm/amdgcn/bitcode/ocml.bc’: Invalid attribute group entry (Producer: ‘LLVM19.0.0git’ Reader: ‘LLVM 18.1.3’)
1 error generated when compiling for gfx1012.

We found error, but i cant imagine how to fix that.