exercises:2017_uzh_cp2k-tutorial:hybrid
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exercises:2017_uzh_cp2k-tutorial:hybrid [2017/07/12 10:01] – gtocci | exercises:2017_uzh_cp2k-tutorial:hybrid [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
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! various runtypes (energy, geo_opt, etc.) available. | ! various runtypes (energy, geo_opt, etc.) available. | ||
| | ||
- | | + | ! amount of information printed to output |
- | | + | |
- | ! reduce the amount of IO | + | |
| | ||
&END GLOBAL | &END GLOBAL | ||
Line 365: | Line 363: | ||
RUN_TYPE ENERGY | RUN_TYPE ENERGY | ||
! limit the runs to 30min | ! limit the runs to 30min | ||
- | WALLTIME 1800 | + | WALLTIME 1800 |
! reduce the amount of IO | ! reduce the amount of IO | ||
IOLEVEL | IOLEVEL | ||
Line 381: | Line 379: | ||
! Charge and multiplicity | ! Charge and multiplicity | ||
- | CHARGE | + | CHARGE |
- | MULTIPLICITY | + | MULTIPLICITY |
&MGRID | &MGRID |
exercises/2017_uzh_cp2k-tutorial/hybrid.1499853662.txt.gz · Last modified: 2020/08/21 10:15 (external edit)