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cluster:172 [2018/08/22 20:14] hmeij07 [Amber] |
cluster:172 [2018/08/23 12:15] hmeij07 [Amber] |
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* 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 86: | Line 87: | ||
* export PATH=/ | * export PATH=/ | ||
* export LD_LIBRARY_PATH=/ | * export LD_LIBRARY_PATH=/ | ||
+ | * export CUDA_HOME=/ | ||
**Verification** | **Verification** | ||
Line 253: | Line 255: | ||
</ | </ | ||
+ | |||
+ | **Tests** | ||
+ | |||
+ | Although the 9.2 cuda compiled Amber passed all tests please double check your results. | ||
+ | |||
+ | < | ||
+ | export DO_PARALLEL=" | ||
+ | make test >> amber16-test.log 2>&1 | ||
+ | </ | ||
+ | |||
+ | **Finish** | ||
+ | * [root@n37 /]# tar -cvf / | ||
+ | * [root@n37 /]# scp / | ||
+ | |||
+ | |||
+ | ==== Gromacs ==== | ||
+ | |||
+ | ==== Lammps ==== | ||
+ | |||
+ | ==== mapd ==== | ||
+ | |||
+ | |||
\\ | \\ | ||
**[[cluster: | **[[cluster: |