| 查看: 292 | 回复: 1 | ||
| 当前主题已经存档。 | ||
[交流]
【求助】ms计算出现了这个问题
|
||
|
Production steps : 15000000 ---- Energy parameters ---- Forcefield : Universal Electrostatic terms: Summation method : Ewald Accuracy : 1e-005 kcal/mol Buffer width : 0.5 A van der Waals terms: Summation method : Atom based Truncation method : Cubic spline Cutoff distance : 12.8 A Spline width : 1 A Buffer width : 0.5 A Sample interval : 50 steps ---- Metropolis Monte Carlo method parameters ---- | | Ratio | Maximum | | | | amplitude | |_____________________________________________ | Exchange | 2.000 | | | Rotate | 1.000 | 5 deg | | Translate | 1.000 | 1 A | | Regrowth | 0.100 | | ---- Fixed pressure calculation ---- Framework charge : -8.056e-005 e per cell | Sorbate | Charge | Fugacity | | | | kPa | |__________________________________________ | CH4 | 0.000 | 1413.700 | | CO2 | 0.000 | 1271.300 | Temperature : 298.000 K Total Fugacity : 2685.000 kPa Task terminated : Sat Mar 13 20:08:55 2010 Total CPU time used : 17:19:37 hours ERROR: Update outputs - Disk is full Termination status : Error 可是我的盘还有7G啊。 |
回复此楼
2楼2010-03-15 13:33:33