exercises:2014_ethz_mmm:monte_carlo_ice
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exercise:monte_carlo_ice [2014/05/23 14:00] – oschuett | exercise:monte_carlo_ice [2014/05/23 15:49] – oschuett | ||
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====== Properties of Ice from Monte Carlo Simulations ====== | ====== Properties of Ice from Monte Carlo Simulations ====== | ||
+ | <note important> | ||
+ | - Add the line '' | ||
+ | - Add the line '' | ||
+ | </ | ||
+ | |||
In this exercise we will use Monte Carlo sampling to calculate the [[wp> | In this exercise we will use Monte Carlo sampling to calculate the [[wp> | ||
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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. The python-script | + | You can gather more samples by launching multiple independent runs in parallel |
< | < | ||
you@brutusX ~$ ./ | you@brutusX ~$ ./ | ||
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RUN_TYPE TMC | RUN_TYPE TMC | ||
PRINT_LEVEL LOW | PRINT_LEVEL LOW | ||
- | WALLTIME | + | WALLTIME |
&END GLOBAL | &END GLOBAL | ||
&MOTION | &MOTION | ||
&TMC | &TMC | ||
+ | RND_DETERMINISTIC 42 !<=== Change this number to obtain different samplings | ||
+ | PRINT_COORDS .FALSE. !this avoids the 'file size exceeded' | ||
GROUP_CC_SIZE 0 | GROUP_CC_SIZE 0 | ||
NUM_MC_ELEM 100000 | NUM_MC_ELEM 100000 |
exercises/2014_ethz_mmm/monte_carlo_ice.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1