| 查看: 311 | 回复: 3 | |||
| 当前主题已经存档。 | |||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | |||
[交流]
【求助】高斯运行求助
|
|||
|
我在Fedora 12 x86_64 上面装了64位的Gaussian 03, 试了运行一下tests里面的test000.com ,但是没算完就退出了，不知道是不是硬件问题，还望各位大侠能指点指点～ 机器是四核的，内存是4G processor : 0 vendor_id : AuthenticAMD cpu family : 16 model : 5 model name : AMD Athlon(tm) II X4 620 Processor stepping : 2 cpu MHz : 800.000 cache size : 512 KB |
回复此楼» 猜你喜欢
河南理工大学招收材料，化工，化学调剂生
已经有0人回复
-
国家级人才课题组招收2026年化学，材料化工 调剂生
已经有0人回复
-
物理化学论文润色/翻译怎么收费?
已经有76人回复
-
国家级人才团体课题组招收2026届化学类学硕，专硕。
已经有1人回复
-
河南理工大学绿色催化课题组招收材料，化工，化学等方向研究生
已经有0人回复
-
国家级人才课题组招研究生 （催化方向）调剂
已经有13人回复
-
中国电机工程学报的投稿系统
已经有0人回复
-
[天津]中国民航大学 招收材料类研究生
已经有0人回复
-
国家大人才课题组招收化学、材料化工类2026年调剂生
已经有0人回复
-
浙师大化与材学院2026年有大量硕士研究生调剂名额 （线上 调剂）
已经有6人回复
-
吉林工程技术师范学院 材料与化工 （0856） 招收调剂
已经有3人回复
★ ★
yjcmwgk(金币+2):鼓励自己研究问题，呵呵 2010-03-18 20:33
yjcmwgk(金币+2):鼓励自己研究问题，呵呵 2010-03-18 20:33
|
自己找到解决办法了-_-||用Fedora的各位同学可以参考参考 Old 11-17-2006, 07:55 AM #13 fedorie LQ Newbie Registered: Nov 2006 Posts: 1 Thanked: 0 Hi, Don't know if you guys are still having these problems, but the official answer of Gaussian is, that they do not support FC, although their suggested solution: echo 0 > /proc/sys/kernel/randomize_va_space works (normally it reads 1). If you don't want to this everytime you reboot, you can add this line to /etc/rc.local G03 works fine with that solution on both FC4 & FC5 (don't know about FC6 yet though) Hope this helps, Fedor http://www.linuxquestions.org/qu ... dora-core-5-455395/ |
4楼2010-03-18 17:03:50
springxa
至尊木虫 (职业作家)
- 应助: 23 (小学生)
- 金币: 17986.1
- 散金: 337
- 红花: 1
- 帖子: 3031
- 在线: 415.6小时
- 虫号: 894685
- 注册: 2009-11-05
- 性别: GG
- 专业: 固体力学
2楼2010-03-18 00:04:46
|
没有错误提示，输出文件到这里： --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 8 0 0.000000 0.000000 0.000000 2 1 0 0.000000 0.000000 0.960000 3 1 0 0.905097 0.000000 -0.320000 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 1 O 0.000000 2 H 0.960000 0.000000 3 H 0.960000 1.567673 0.000000 Stoichiometry H2O Framework group C2V[C2(O),SGV(H2)] Deg. of freedom 2 Full point group C2V Largest Abelian subgroup C2V NOp 4 Largest concise Abelian subgroup C2 NOp 2 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 8 0 0.000000 0.000000 0.110851 2 1 0 0.000000 0.783837 -0.443405 3 1 0 0.000000 -0.783837 -0.443405 --------------------------------------------------------------------- Rotational constants (GHZ): 919.0227235 408.0852058 282.5991534 Standard basis: STO-3G (5D, 7F) There are 4 symmetry adapted basis functions of A1 symmetry. There are 0 symmetry adapted basis functions of A2 symmetry. There are 1 symmetry adapted basis functions of B1 symmetry. There are 2 symmetry adapted basis functions of B2 symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 7 basis functions, 21 primitive gaussians, 7 cartesian basis functions 5 alpha electrons 5 beta electrons nuclear repulsion energy 9.1571759050 Hartrees. NAtoms= 3 NActive= 3 NUniq= 2 SFac= 1.69D+00 NAtFMM= 80 NAOKFM=F Big=F One-electron integrals computed using PRISM. |
3楼2010-03-18 00:14:23
