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dong5391金蟲 (著名寫手)
江湖散仙
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[求助]
崩潰中,怎么一直運行不了呢 已有1人參與
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哎,這這道題已經(jīng)折騰了半個月了,怎么就是運行不下去呢?哪位給支支招吧。 題目 %LindaWorkers=Gnode32 %LindaWorkers=Gnode32 % nprocshare=12 #P B3LYP/6-311++g** opt=(calcfc,ts,noeigen,maxcyc=200) freq nosymmetry IOP(7/8=1) Title Card Required 0 3 S -2.65040500 -0.40327400 1.87678400 S -2.72267200 -3.41055900 -0.66096500 S -4.20868900 0.07273500 -4.86197300 S -7.82093500 3.86298300 -1.69248200 S -8.18869400 1.84911800 3.73809300 S 0.27850000 -4.23394500 3.22893600 S 2.74882600 -3.89066200 -1.93592500 S 4.19387300 -3.03133700 -0.72253700 C 5.93029600 7.03224500 0.19907200 C 5.10511900 4.59125500 0.30813900 C 6.16392200 1.06335500 0.49406800 C 8.07128700 -0.03590200 0.58279500 C 8.89279300 2.40493300 0.48195100 C 7.82391300 5.93763100 0.28973900 H 5.10030700 9.77997200 0.04580300 H 3.64091300 5.43076900 0.23413600 H 5.52065100 -0.82394400 0.57162800 H 8.90908300 -2.78015900 0.73341000 H 10.36372600 1.55618600 0.55302300 H 8.46446300 7.83515100 0.20851400 輸出結(jié)果: ****************************************** Gaussian 09: EM64L-G09RevC.01 23-Sep-2011 6-Jun-2015 ****************************************** %LindaWorkers=Gnode32 SetLPE: input flags="" SetLPE: new flags=" -nodelist 'Gnode32'" Will use up to 1 processors via Linda. %LindaWorkers=Gnode32 Specify only one instance of %LindaWorkers and do not use %NProcLinda. Contradictory % commands. Error termination via Lnk1e in /export/opt/g09/l1.exe at Sat Jun 6 21:36:03 2015. Job cpu time: 0 days 0 hours 0 minutes 0.0 seconds. File lengths (MBytes): RWF= 0 Int= 0 D2E= 0 Chk= 0 Scr= 0 |

木蟲 (著名寫手)
木蟲 (著名寫手)

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