Dear Mondal,
Error 2 is due to the some problem in the installing case.Actually actual error is in error 1.I also hads similiar issue.I solved it installing using old configure(using older version of cuda 11.1 or lower) rather than the new bulit or try to install it with miniconda.
Regards,
Sivasanker K A
NCL ID-12183
c/o Dr. Kumar Vanka
Physical & Material Chemistry
CSIR NCL Pune
----- Original Message -----
From: amber.ambermd.org
To: amber.ambermd.org
Sent: Wednesday, December 27, 2023 2:48:52 PM
Subject: [AMBER] amber22 installation error
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.*
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Dec 28 2023 - 02:30:04 PST
