cluster:172
Differences
This shows you the differences between two versions of the page.
| Both sides previous revision Previous revision Next revision | Previous revision Next revision Both sides next revision | ||
|
cluster:172 [2018/08/23 13:12] hmeij07 [Lammps] |
cluster:172 [2018/08/23 17:50] hmeij07 [mapd] |
||
|---|---|---|---|
| Line 272: | Line 272: | ||
| ==== Gromacs ==== | ==== Gromacs ==== | ||
| + | As root install | ||
| + | |||
| + | * cmake, latest version, never understand why so far ahead of distro... | ||
| + | |||
| + | 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 ==== | ||
| Line 286: | Line 310: | ||
| * to stay with openmpi-1.8.4 (not mpich3...) | * to stay with openmpi-1.8.4 (not mpich3...) | ||
| - | * consulting the ARCH 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. |
| + | |||
| + | < | ||
| + | |||
| + | [hmeij@n37 src]$ ll / | ||
| + | total 104356 | ||
| + | -rwxr-xr-x 1 hmeij its 35739800 Aug 23 08:49 lmp_mpi-double-double-with-cuda | ||
| + | -rwxr-xr-x 1 hmeij its 35555672 Aug 23 09:11 lmp_mpi-single-double-with-cuda | ||
| + | -rwxr-xr-x 1 hmeij its 35559552 Aug 23 09:53 lmp_mpi-single-single-with-cuda | ||
| + | |||
| + | </ | ||
| ==== 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 | ||
| + | |||
| + | </ | ||
| \\ | \\ | ||
| **[[cluster: | **[[cluster: | ||
cluster/172.txt · Last modified: 2020/07/15 17:52 by hmeij07
Page Tools
Except where otherwise noted, content on this wiki is licensed under the following license: CC Attribution-Share Alike 4.0 International
