*Dear Users,*
*I am trying to install amber22 with the "cuda.mpi" version in my
institute cluster. My cmake file is like this:*
cmake $AMBER_PREFIX/amber22_src \
-DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber22 \
-DCOMPILER=GNU -DUSE_CONDA_LIBS=TRUE \
-DMPI=TRUE -DCUDA=TRUE -DINSTALL_TESTS=TRUE \
-DDOWNLOAD_MINICONDA=FALSE \
2>&1 | tee cmake.log
*After installation, I load the following module:*
module load *compiler/cmake/3.22.5*
module load *compiler/cuda/10.2*
module load *compiler/gcc/8.3.0*
module load *compiler/openmpi/4.1.4*
*After running, it shows the following error:*
/home/21cy91r03/amber22/bin/pmemd.cuda.MPI: error while loading shared
libraries: *libopenblas.so.0: cann*ot open shared object file: No such file
or directory
/home/21cy91r03/amber22/bin/pmemd.cuda.MPI: error while loading shared
libraries: libopenblas.so.0: cannot open shared object file: No such file
or directory
--------------------------------------------------------------------------
*With regards,*
*Dulal Mondal,*
*Research Scholar,*
*Department of Chemistry,*
*IIT Kharagpur, Kharagpur 721302.*
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Received on Sat Jun 17 2023 - 07:00:03 PDT
