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cluster:172 [2018/08/23 14:02]
hmeij07 [Gromacs]
cluster:172 [2018/08/23 18:17]
hmeij07 [Note]
Line 20: Line 20:
   * unmount NFS mounts while installing nvidia as root   * unmount NFS mounts while installing nvidia as root
   * install other software as regular user    * install other software as regular user 
-  *  
 ==== Nvidia ==== ==== Nvidia ====
  
Line 274: Line 273:
 As root install As root install
  
-  * yum install cmake+  * cmake, latest version, never understand why so far ahead of distro...
  
 Download and extract source. Using same environment as Amber compilation. Download and extract source. Using same environment as Amber compilation.
 +
 +<code>
 +
 + cd gromacs-2018/
 + mkdir build
 + cd build
 +
 + which mpicc mpicxx
 +/share/apps/CENTOS6/openmpi/1.8.4/bin/mpicc
 +/share/apps/CENTOS6/openmpi/1.8.4/bin/mpicxx
 +
 + CC=mpicc CXX=mpicxx \
 +   /share/apps/CENTOS7/cmake/3.12.1/bin/cmake .. \
 +  -DCMAKE_INSTALL_PREFIX=/usr/local/gromacs-2018 \
 +  -DGMX_BUILD_OWN_FFTW=ON -DGMX_MPI=ON -DGMX_GPU=ON
 + CC=mpicc CXX=mpicxx make
 + CC=mpicc CXX=mpicxx make install
 +
 +</code>
 ==== Lammps ==== ==== Lammps ====
  
Line 293: Line 311:
   * consulting the ARCH web page I choose -arch=sm_35   * consulting the ARCH web page I choose -arch=sm_35
  
-Good thing we're doing this now, future versions of CUDA will not support the K20s anymore. In fact on that web site they are not mentioned, only the K40/K80 gpus. So we'll see what testing reveals.  Please double check results against previous runs. Compile as regular user and stage lmp_mpi in /usr/local/lammps-22Aug10/lmp-mpi-presision1precision2-with-cuda...+Good thing we're doing this now, future versions of CUDA will not support the K20s anymore. In fact on that web site they are not mentioned, only the K40/K80 gpus. So we'll see what testing reveals.  Please double check results against previous runs. Compile as regular user and stage lmp_mpi in /usr/local/lammps-22Aug10/
  
 <code> <code>
Line 307: Line 325:
 ==== mapd ==== ==== mapd ====
  
 +  * https://www.mapd.com/docs/latest/4_centos7-yum-gpu-ce-recipe.html
 +
 +<code>
 +
 +useradd -U mapd
 +
 +# mapd.repo
 +[mapd-ce-cuda]
 +name=mapd ce - cuda
 +baseurl=https://releases.mapd.com/ce/yum/stable/cuda
 +gpgcheck=1
 +gpgkey=https://releases.mapd.com/GPG-KEY-mapd
 +
 +yum  install \
 +  copy-jdk-configs java-1.8.0-openjdk-headless \
 +  javapackages-tools libxslt \
 +  lksctp-tools python-javapackages \
 +  python-lxml tzdata-java \
 +  mapd 
 +  # n37:/usr/local/src
 +
 +# User specific aliases and functions
 +export MAPD_USER=mapd
 +export MAPD_GROUP=mapd
 +export MAPD_STORAGE=/var/lib/mapd
 +export MAPD_PATH=/opt/mapd
 +# The $MAPD_STORAGE directory must be dedicated to MapD
 +
 +</code>
 +
 +==== Finish ====
  
 +  * Make the final tar file for /usr/local and post with CHROOT
 +  * Install all the packages of this page in CHROOT
 \\ \\
 **[[cluster:0|Back]]** **[[cluster:0|Back]]**
cluster/172.txt ยท Last modified: 2020/07/15 17:52 by hmeij07