exercises:2018_uzh_cmest:login
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exercises:2018_uzh_cmest:login [2018/09/19 11:00] – [First steps] tmueller | exercises:2018_uzh_cmest:login [2018/09/19 15:11] – tmueller | ||
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< | < | ||
- | $ module load cp2k/ | + | $ module load cp2k |
</ | </ | ||
Line 92: | Line 92: | ||
< | < | ||
- | $ cp2k.sopt --help | + | $ cp2k.popt --help |
</ | </ | ||
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< | < | ||
- | cp2k.sopt [-c|--check] [-e|--echo] [-h|--help] [--html-manual] | + | cp2k.popt [-c|--check] [-e|--echo] [-h|--help] [--html-manual] |
[-i] < | [-i] < | ||
| | ||
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| | ||
- | The easiest way is cp2k.sopt < | + | The easiest way is cp2k.popt < |
The following options can be used: | The following options can be used: | ||
Line 131: | Line 131: | ||
</ | </ | ||
- | Another program we need for visualization is [[http:// | + | Another program we need for visualization is [[http:// |
- | + | ||
- | Load the respective module (since there is only one version available, the shorthand '' | + | |
- | + | ||
- | < | + | |
- | $ vmd | + | |
- | </ | + | |
- | + | ||
- | Two new windows named '' | + | |
- | + | ||
- | < | + | |
- | Info) VMD for LINUXAMD64, version 1.9.2 (December 29, 2014) | + | |
- | Info) http:// | + | |
- | Info) Email questions and bug reports to vmd@ks.uiuc.edu | + | |
- | Info) Please include | + | |
- | Info) Humphrey, W., Dalke, A. and Schulten, K., `VMD - Visual | + | |
- | Info) Molecular Dynamics', | + | |
- | Info) ------------------------------------------------------------- | + | |
- | Info) Multithreading available, 32 CPUs detected. | + | |
- | Info) Free system memory: 256213MB (99%) | + | |
- | Warning) Detected a mismatch between CUDA runtime and GPU driver | + | |
- | Warning) Check to make sure that GPU drivers are up to date. | + | |
- | Info) No CUDA accelerator devices available. | + | |
- | Warning) Detected X11 ' | + | |
- | Warning) try disabling this X server option. | + | |
- | Warning) disable stereoscopic display when ' | + | |
- | libGL error: failed to load driver: swrast | + | |
- | libGL error: Try again with LIBGL_DEBUG=verbose for more details. | + | |
- | Info) OpenGL renderer: GeForce GTX 760 (192-bit)/ | + | |
- | Info) | + | |
- | Info) GLSL rendering mode is NOT available. | + | |
- | Info) | + | |
- | Info) Dynamically loaded 2 plugins in directory: | + | |
- | Info) / | + | |
- | vmd > | + | |
- | </ | + | |
- | + | ||
- | If you only get the output | + | |
- | + | ||
- | < | + | |
- | vmd > quit | + | |
- | </ | + | |
<note tip>The module loading is **not** persistent. You have to reload the modules every time you log back in.</ | <note tip>The module loading is **not** persistent. You have to reload the modules every time you log back in.</ | ||
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< | < | ||
- | $ module initadd cp2k/ | + | $ module initadd cp2k |
</ | </ | ||
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</ | </ | ||
- | Alternatively you can of course simply edit '' | + | Alternatively you can of course simply edit '' |
==== Setup key-based authentication ==== | ==== Setup key-based authentication ==== |
exercises/2018_uzh_cmest/login.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1