 |
 |
 |
 |
 |
 |
||
 |
 |
 |
 |
 |
| 5 | 1/1 | 返回列表 |
| 查看: 778 | 回復: 2 | ||
| 當前只顯示滿足指定條件的回帖，點擊這里查看本話題的所有回帖 | ||
lue7新蟲 (正式寫手)
|
[求助]
麻煩幫忙看看G03安裝后運行結(jié)果 已有2人參與
|
|
|
今天忙活了一天，在Ubuntu上安裝了G03。在Windows下的GV畫了一個富勒烯gjf文件。粘貼到Ubuntu下，用Unix2dos轉(zhuǎn)化了一下。然后用g03 /home/lue/GaussTemp/c60.gjf運行。c60.log文件如下： Entering Gaussian System, Link 0=g03 Input=/home/lue/GaussTemp/c60.gjf Output=/home/lue/GaussTemp/c60.log Initial command: /home/lue/Opt//g03/l1.exe /home/lue/GaussTemp/Gau-4429.inp -scrdir=/home/lue/GaussTemp/ Entering Link 1 = /home/lue/Opt//g03/l1.exe PID= 4431. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2004,2007, Gaussian, Inc. All Rights Reserved. This is the Gaussian(R) 03 program. It is based on the the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 03, Revision E.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, and J. A. Pople, Gaussian, Inc., Wallingford CT, 2004. ****************************************** Gaussian 03: EM64T-G03RevE.01 11-Sep-2007 20-Mar-2014 ****************************************** %chk=c60.chk %mem=4000M Error converting string" 4000M" to an integer. Input conversion error in IntKMC. Error termination via Lnk1e in /home/lue/Opt//g03/l1.exe at Thu Mar 20 22:25:11 2014. 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 大家?guī)兔纯矗瑔栴}出在哪？G03是不是已經(jīng)成功安裝完畢了？謝謝！ |
回復此樓» 猜你喜歡
大灣區(qū)大學劉天輝課題組招收2026級博士生（與中山大學物理學院聯(lián)合培養(yǎng)）
已經(jīng)有22人回復
-
PbS量子點紫外吸收
已經(jīng)有0人回復
-
物理化學論文潤色/翻譯怎么收費?
已經(jīng)有234人回復
-
比利時魯汶大學與國家留學基金委共同資助博士研究生CSC-KU Leuven PhD Scholarship
已經(jīng)有0人回復
-
請問四氫呋喃溶解的聚合物用甲醇沉淀時，如何使沉淀過程加速？
已經(jīng)有2人回復
-
倫敦大學學院Benjamin Moss博士招收人工智能、原位光譜、催化相關(guān)26年博士生
已經(jīng)有11人回復
-
Chemical Bonding at Surfaces and Interfaces,最經(jīng)典的一本表面上化學相互作用教材
已經(jīng)有0人回復
-
中國科學院成都山地災害與環(huán)境研究所2026年特別研究助理（博士后）招聘啟事
已經(jīng)有0人回復
-
誠邀有志之士加入江蘇大學環(huán)境學院合成生物學課題組！(長期接收學碩專碩、碩博連讀)
已經(jīng)有16人回復
-
一志愿南大理論與計算化學方向（070300）342分，求調(diào)劑
已經(jīng)有1人回復
-
歡迎化學、化工、物理、材料、或計算機背景的考研咨詢
已經(jīng)有0人回復
» 本主題相關(guān)價值貼推薦，對您同樣有幫助:
- G03中的(Polarized solute)-Solvent 的值在G09中怎么找到
已經(jīng)有10人回復
- 各位大俠，我在linux下運行g(shù)09，老是出現(xiàn)以下的錯誤，我該怎么辦呀？
已經(jīng)有12人回復
- G09集群計算結(jié)果的chk文件轉(zhuǎn)換問題
已經(jīng)有7人回復
- 【求助】這個錯誤是怎么回事呢？
已經(jīng)有7人回復
- 【求助】高斯安裝后多用戶使用、多核運行及服務器配置問題
已經(jīng)有15人回復
- 【求助】請各位大俠看看這個gaussian為啥不能運行
已經(jīng)有17人回復
- 【求助】formchk出錯
已經(jīng)有23人回復
- 【求助】ubuntu中安裝高斯
已經(jīng)有18人回復
Hewei
金蟲 (文壇精英)
- 應助: 6 (幼兒園)
- 金幣: 14045.1
- 紅花: 20
- 帖子: 10698
- 在線: 729.9小時
- 蟲號: 125195
- 注冊: 2005-12-06
- 性別: GG
- 專業(yè): 高分子物理與高分子物理化
3樓2014-03-19 22:04:57
2樓2014-03-19 14:43:42
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[考研] 材料與化工328分調(diào)劑 +7 | 。，。，。，。i 2026-03-23 | 7/350 |
|
|---|---|---|---|---|
|
[考研] 283求調(diào)劑（080500） +7 | A child 2026-03-27 | 7/350 |
|
|
|
[考研] 070305高分子化學與物理 304分求調(diào)劑 +12 | c297914 2026-03-28 | 12/600 |
|
|
|
[考研] 343求調(diào)劑 +6 | 愛羈絆 2026-03-29 | 6/300 |
|
|
|
[碩博家園] 招收生物學/細胞生物學調(diào)劑 +4 | IceGuo 2026-03-26 | 5/250 |
|
|
|
[考研] 085701求調(diào)劑初試286分 +4 | secret0328 2026-03-28 | 4/200 |
|
|
|
[考研] 一志愿華理，數(shù)一英一285求A區(qū)調(diào)劑 +8 | AZMK 2026-03-25 | 12/600 |
|
|
|
[考研] 394求調(diào)劑 +3 | 好事多磨靜候佳?/a> 2026-03-26 | 5/250 |
|
|
|
[考研] 322求調(diào)劑 +5 | 舊吢 2026-03-24 | 5/250 |
|
|
|
[考研] 070300求調(diào)劑306分 +4 | 26要上岸 2026-03-27 | 4/200 |
|
|
|
[考研] 311求調(diào)劑 +9 | lin0039 2026-03-26 | 9/450 |
|
|
|
[考研] 一志愿南昌大學324求調(diào)劑 +7 | hanamiko 2026-03-27 | 7/350 |
|
|
|
[考研] 291求調(diào)劑 +6 | HanBeiNingZC 2026-03-24 | 6/300 |
|
|
|
[考研] 328求調(diào)劑 +7 | 嗯滴的基本都 2026-03-27 | 7/350 |
|
|
|
[考研] 343求調(diào)劑 +4 | 贈我一本書 2026-03-23 | 4/200 |
|
|
|
[考研] 351求調(diào)劑 +4 | 麥克阿磊 2026-03-24 | 4/200 |
|
|
|
[考研] 321求調(diào)劑 +6 | Ymlll 2026-03-24 | 6/300 |
|
|
|
[考研] 085601求調(diào)劑總分293英一數(shù)二 +4 | 鋼鐵大炮 2026-03-24 | 4/200 |
|
|
|
[考研] 334分 一志愿武理-080500 材料求調(diào)劑 +4 | 李李不服輸 2026-03-25 | 4/200 |
|
|
|
[考研] 考研一志愿蘇州大學初始315（英一）求調(diào)劑 +3 | sbdksD 2026-03-24 | 4/200 |
|