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cluster:172 [2018/08/23 14:27] hmeij07 [Gromacs] |
cluster:172 [2018/08/23 18:17] hmeij07 [mapd] |
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Download and extract source. Using same environment as Amber compilation. | Download and extract source. Using same environment as Amber compilation. | ||
+ | |||
+ | < | ||
+ | |||
+ | cd gromacs-2018/ | ||
+ | mkdir build | ||
+ | cd build | ||
+ | |||
+ | which mpicc mpicxx | ||
+ | / | ||
+ | / | ||
+ | |||
+ | | ||
+ | / | ||
+ | -DCMAKE_INSTALL_PREFIX=/ | ||
+ | -DGMX_BUILD_OWN_FFTW=ON -DGMX_MPI=ON -DGMX_GPU=ON | ||
+ | | ||
+ | | ||
+ | |||
+ | </ | ||
==== Lammps ==== | ==== Lammps ==== | ||
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* 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. | + | 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. |
< | < | ||
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==== mapd ==== | ==== mapd ==== | ||
+ | * https:// | ||
+ | |||
+ | < | ||
+ | |||
+ | useradd -U mapd | ||
+ | |||
+ | # mapd.repo | ||
+ | [mapd-ce-cuda] | ||
+ | name=mapd ce - cuda | ||
+ | baseurl=https:// | ||
+ | gpgcheck=1 | ||
+ | gpgkey=https:// | ||
+ | |||
+ | yum install \ | ||
+ | copy-jdk-configs java-1.8.0-openjdk-headless \ | ||
+ | javapackages-tools libxslt \ | ||
+ | lksctp-tools python-javapackages \ | ||
+ | python-lxml tzdata-java \ | ||
+ | mapd | ||
+ | # n37:/ | ||
+ | |||
+ | # User specific aliases and functions | ||
+ | export MAPD_USER=mapd | ||
+ | export MAPD_GROUP=mapd | ||
+ | export MAPD_STORAGE=/ | ||
+ | export MAPD_PATH=/ | ||
+ | # The $MAPD_STORAGE directory must be dedicated to MapD | ||
+ | |||
+ | </ | ||
+ | |||
+ | ==== Finish ==== | ||
+ | * Make the final tar file for /usr/local and post with CHROOT | ||
+ | * Install all the packages of this page in CHROOT | ||
\\ | \\ | ||
**[[cluster: | **[[cluster: |