Dear Experts,
I am trying to install amber22 in cuda. I do the following steps.
module load module load compiler/gcc/8.3.0 compiler/cmake/3.15.4
compiler/cuda/11.2
I edit the run cmake file.
Assume this is Linux:
cmake $AMBER_PREFIX/amber22_src \
-DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber22 \
-DCOMPILER=GNU -DUSE_CONDA_LIBS=TRUE -DFORCE_INTERNAL_LIBS=arpack \
-DMPI=FALSE -DCUDA=TRUE -DINSTALL_TESTS=TRUE \
-DDOWNLOAD_MINICONDA=FALSE \
2>&1 | tee cmake.log
make install.
But after 82 %, the installation is stopped.
r/pbsa.cuda_generated_cusp_LinearSolvers.cu.o
[ 83%] Building NVCC (Device) object
AmberTools/src/pbsa/CMakeFiles/pbsa.cuda.dir/pbsa.cuda_generated_cusparse_LinearSolvers.cu.o
/home/21cy91r03/amber22_src/AmberTools/src/pbsa/cusparse_LinearSolvers.cu(82):
error: identifier "CUSPARSE_SPMV_ALG_DEFAULT" is undefined
/home/21cy91r03/amber22_src/AmberTools/src/pbsa/cusparse_LinearSolvers.cu(236):
error: identifier "CUSPARSE_SPMV_ALG_DEFAULT" is undefined
2 errors detected in the compilation of
"/home/21cy91r03/amber22_src/AmberTools/src/pbsa/cusparse_LinearSolvers.cu".
CMake Error at
pbsa.cuda_generated_cusparse_LinearSolvers.cu.o.RELEASE.cmake:277 (message):
Error generating file
/home/21cy91r03/amber22_src/build/AmberTools/src/pbsa/CMakeFiles/pbsa.cuda.dir//./pbsa.cuda_generated_cusparse_LinearSolvers.cu.o
make[2]: ***
[AmberTools/src/pbsa/CMakeFiles/pbsa.cuda.dir/pbsa.cuda_generated_cusparse_LinearSolvers.cu.o]
Error 1
make[1]: *** [AmberTools/src/pbsa/CMakeFiles/pbsa.cuda.dir/all] Error 2
make: *** [all] Error 2
--
*With regards,*
*Dulal Mondal,*
*Research Scholar,*
*Department of Chemistry,*
*IIT Kharagpur, Kharagpur 721302.*
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Received on Wed Dec 27 2023 - 01:30:03 PST
