[AMBER] amber 22 installation

From: Dulal Mondal via AMBER <amber.ambermd.org>
Date: Sat, 17 Jun 2023 19:00:28 +0530

*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
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