Trying to install amber24 with cuda 12.6. The OS is RHEL 8.10
serial and MPI versions installed with no problems. CUDA version failed. Any help would be appreciated.
Initial run to install cuda version trapped error since cuda version was > 12.5. I change the CudaConfig files to accept 12.6
Then I followed cuda directions in the manual with the following results.
I modified run_cmake with this:
# Assume this is Linux:
cmake $AMBER_PREFIX/amber24_src \
-DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber24 \
-DCOMPILER=GNU \
-DMPI=FALSE -DCUDA=TRUE -DINSTALL_TESTS=TRUE \
-DDOWNLOAD_MINICONDA=TRUE \
2>&1 | tee cmake.log
./run_cmake
No issues
./make install
Error limit reached.
100 errors detected in the compilation of "/work/home/amber24_src/AmberTools/src/pbsa/cuda_LinearSolvers.cu".
Compilation terminated.
CMake Error at pbsa.cuda_generated_cuda_LinearSolvers.cu.o.RELEASE.cmake:278 (message):
Error generating file
/work/home/amber24_src/build/AmberTools/src/pbsa/CMakeFiles/pbsa.cuda.dir//./pbsa.cuda_generated_cuda_LinearSolvers.cu.o
make[2]: *** [AmberTools/src/pbsa/CMakeFiles/pbsa.cuda.dir/build.make:112: AmberTools/src/pbsa/CMakeFiles/pbsa.cuda.dir/pbsa.cuda_generated_cuda_LinearSolvers.cu.o] Error 1
make[1]: *** [CMakeFiles/Makefile2:5370: AmberTools/src/pbsa/CMakeFiles/pbsa.cuda.dir/all] Error 2
make: *** [Makefile:156: all] Error 2
gcc compiler info:
Name : gcc
Version : 8.5.0
Release : 22.el8_10
Architecture : x86_64
Size : 59 M
Source : gcc-8.5.0-22.el8_10.src.rpm
Repository : .System
From repo : rhel-8-for-x86_64-appstream-rpms
Summary : Various compilers (C, C++, Objective-C, ...)
URL : http://gcc.gnu.org
License : GPLv3+ and GPLv3+ with exceptions and GPLv2+ with exceptions and LGPLv2+ and BSD
Description : The gcc package contains the GNU Compiler Collection version 8.
: You'll need this package in order to compile C code.
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Received on Sun Dec 29 2024 - 06:00:02 PST
