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woxiangfei木蟲 (文壇精英)
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[求助]
哎,累死累活的在linux中把高斯裝好了,怎么運行時L1002錯誤呀,請問這是怎么回事呀!
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哎,累死累活的在linux中把高斯裝好了,怎么運行時L1002錯誤呀,請問這是怎么回事呀!我該如何解決呀,各位大俠,我已經(jīng)優(yōu)化后了,僅僅是計算頻率。 LinEq1: Iter= 5 NonCon= 588 RMS=2.85D-05 Max=1.65D-03 LinEq1: Iter= 6 NonCon= 588 RMS=6.23D-06 Max=3.01D-04 LinEq1: Iter= 7 NonCon= 432 RMS=1.32D-06 Max=4.55D-05 LinEq1: Iter= 8 NonCon= 213 RMS=2.96D-07 Max=1.00D-05 LinEq1: Iter= 9 NonCon= 3 RMS=7.05D-08 Max=2.24D-06 LinEq1: Iter= 10 NonCon= 3 RMS=1.74D-08 Max=6.04D-07 LinEq1: Iter= 11 NonCon= 1 RMS=3.95D-09 Max=1.12D-07 LinEq1: Iter= 12 NonCon= 0 RMS=4.99D-10 Max=2.73D-08 Linear equations converged to 1.000D-08 1.000D-07 after 12 iterations. NIJ > Max2 in MMCore. Error termination via Lnk1e in /home/wodejisuan/g09/l1002.exe at Fri Apr 6 13:03:03 2012. Job cpu time: 0 days 0 hours 12 minutes 53.0 seconds. File lengths (MBytes): RWF= 23305 Int= 0 D2E= 0 Chk= 6 Scr= 1 [ Last edited by woxiangfei on 2012-4-6 at 13:20 ] |
鐵桿木蟲 (職業(yè)作家)
站在計算化學(xué)入門的門檻上
| A memory allocation bug for very large systems, which could cause a failure with the message “NIJ > Max2 in MMCore,” was fixed. |

鐵桿木蟲 (職業(yè)作家)
站在計算化學(xué)入門的門檻上

木蟲 (文壇精英)
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我的最終解決方法:沒有升級到G09C01也沒用G03,只是將用rwf分了幾個文件就解決了。注意,在rwf前沒有%。 %chk=yigelinuxlizi.chk %mem=1400MB rwf=1,2000mb,2,2000mb,3,2000mb,4,2000mb,5,2000mb,6,2000mb,7,2000mb,8,2000mb,9,2000mb,10,2000mb,11,2000mb,12,2000mb,13,2000mb,14,2000mb,15,2000mb,16,2000mb,17,2000mb,18,2000mb,19,2000mb #p freq am1 yigelinuxlizi 2 1 |
木蟲 (文壇精英)
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