exercises:2014_ethz_mmm:monte_carlo_ice
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exercise:monte_carlo_ice [2014/05/23 15:49] – oschuett | exercises:2014_ethz_mmm:monte_carlo_ice [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
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===== Task 2: Gather more samplings ===== | ===== Task 2: Gather more samplings ===== | ||
- | You can gather more samples by launching multiple independent runs in parallel with different random number seeds. The seed is given by the '' | + | You can gather more samples by launching multiple independent runs in parallel with different random number seeds. The seed is given by the '' |
< | < | ||
you@brutusX ~$ ./ | you@brutusX ~$ ./ | ||
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===== Required Files ===== | ===== Required Files ===== | ||
==== Initial Coordinates ==== | ==== Initial Coordinates ==== | ||
- | {{:exercise:ice_ih_96.xyz.gz| Download here}} | + | {{ice_ih_96.xyz.gz| Download here}} |
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&TMC | &TMC | ||
RND_DETERMINISTIC 42 !<=== Change this number to obtain different samplings | RND_DETERMINISTIC 42 !<=== Change this number to obtain different samplings | ||
- | PRINT_COORDS .FALSE. !this avoids the 'file size exceeded' | + | PRINT_COORDS .FALSE. !this avoids the file-size problem |
GROUP_CC_SIZE 0 | GROUP_CC_SIZE 0 | ||
NUM_MC_ELEM 100000 | NUM_MC_ELEM 100000 |
exercises/2014_ethz_mmm/monte_carlo_ice.1400860198.txt.gz · Last modified: 2020/08/21 10:14 (external edit)