On Sat, Jun 17, 2023, Dulal Mondal via AMBER wrote:
>
>*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
Use "module avail" or "module spider" to look for modules that supply
OpenBLAS. It seem likely that such a module was loaded (and used) when the
code was compiled.
....good luck....dac
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Received on Sun Jun 18 2023 - 05:30:03 PDT
