| 查看: 2084 | 回复: 9 | |||
liuqun木虫 (小有名气)
|
[求助]
求一个过渡态算例已有1人参与
|
| 我用VASP找过渡态改论了无数遍INCAR了,都是一提交上去就掉下来了,不知道是服务器的原因还是我的文件的原因,求一份正确的过渡态算例,收到必有重谢 |
» 猜你喜欢
孩子确诊有中度注意力缺陷
已经有14人回复
三甲基碘化亚砜的氧化反应
已经有4人回复
请问下大家为什么这个铃木偶联几乎不反应呢
已经有5人回复
请问有评职称,把科研教学业绩算分排序的高校吗
已经有5人回复
2025冷门绝学什么时候出结果
已经有3人回复
天津工业大学郑柳春团队欢迎化学化工、高分子化学或有机合成方向的博士生和硕士生加入
已经有4人回复
康复大学泰山学者周祺惠团队招收博士研究生
已经有6人回复
AI论文写作工具:是科研加速器还是学术作弊器?
已经有3人回复
论文投稿,期刊推荐
已经有4人回复
请问2026国家基金面上项目会启动申2停1吗
已经有5人回复
» 本主题相关价值贴推荐,对您同样有帮助:
vasp计算过渡态问题
已经有13人回复
红外校正系数,轨道系数,过渡态算例,Gview对称性小技巧
已经有60人回复
关于过渡态的计算的能量问题。
已经有7人回复
QST3过渡态计算报错2070,请大家帮忙分析
已经有10人回复
VASP的dimer计算过渡态
已经有4人回复
Gaussian 03计算过渡态问题
已经有4人回复
CH4在Ir(111)表面的解离吸附过渡态计算:Henkelman的PRL文章
已经有10人回复
高斯计算过渡态时的能垒总是负值
已经有13人回复
过渡态计算
已经有4人回复
vasp 过渡态计算 线性插值方法。
已经有8人回复
模拟键的断裂是不是不需要做过渡态的计算?
已经有10人回复
【求助】在gaussian过渡态优化计算出现的问题~请教高手~
已经有3人回复
likai0106
金虫 (小有名气)
- 1ST强帖: 2
- 应助: 38 (小学生)
- 金币: 1352.4
- 帖子: 233
- 在线: 68.5小时
- 虫号: 634278
- 注册: 2008-10-23
- 性别: GG
- 专业: 凝聚态物性 II :电子结构
2楼2012-04-26 16:07:45
liuqun
木虫 (小有名气)
- 应助: 1 (幼儿园)
- 金币: 1856.2
- 散金: 150
- 红花: 1
- 帖子: 160
- 在线: 199.6小时
- 虫号: 784404
- 注册: 2009-06-01
- 性别: MM
- 专业: 结构化学
送鲜花一朵|
running on 6 nodes each image running on 1 nodes distr: one band on 1 nodes, 1 groups forrtl: No such file or directory forrtl: No such file or directory forrtl: No such file or directory vasp.5.2.2 15Apr09 complex forrtl: No such file or directory forrtl: No such file or directory forrtl: No such file or directory forrtl: severe (29): file not found, unit 8, file /scratch/lq/1/01/OUTCAR Image PC Routine Line Source vasp52-ff-im-go-v 000000000121CB5D Unknown Unknown Unknown vasp52-ff-im-go-v 000000000121B665 Unknown Unknown Unknown vasp52-ff-im-go-v 00000000011D46B9 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000118424F Unknown Unknown Unknown vasp52-ff-im-go-v 0000000001183A82 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000119487D Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040BDA7 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040BAAC Unknown Unknown Unknown libc.so.6 0000003761A1D994 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040B9B9 Unknown Unknown Unknown forrtl: severe (29): file not found, unit 6, file /scratch/lq/1/05/stdout Image PC Routine Line Source vasp52-ff-im-go-v 000000000121CB5D Unknown Unknown Unknown vasp52-ff-im-go-v 000000000121B665 Unknown Unknown Unknown vasp52-ff-im-go-v 00000000011D46B9 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000118424F Unknown Unknown Unknown vasp52-ff-im-go-v 0000000001183A82 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000119487D Unknown Unknown Unknown vasp52-ff-im-go-v 0000000000461673 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040BB74 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040BAAC Unknown Unknown Unknown libc.so.6 0000003761A1D994 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040B9B9 Unknown Unknown Unknown forrtl: severe (29): file not found, unit 6, file /scratch/lq/1/03/stdout Image PC Routine Line Source vasp52-ff-im-go-v 000000000121CB5D Unknown Unknown Unknown vasp52-ff-im-go-v 000000000121B665 Unknown Unknown Unknown vasp52-ff-im-go-v 00000000011D46B9 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000118424F Unknown Unknown Unknown vasp52-ff-im-go-v 0000000001183A82 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000119487D Unknown Unknown Unknown vasp52-ff-im-go-v 0000000000461673 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040BB74 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040BAAC Unknown Unknown Unknown libc.so.6 0000003761A1D994 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040B9B9 Unknown Unknown Unknown forrtl: severe (29): file not found, unit 6, file /scratch/lq/1/06/stdout Image PC Routine Line Source vasp52-ff-im-go-v 000000000121CB5D Unknown Unknown Unknown vasp52-ff-im-go-v 000000000121B665 Unknown Unknown Unknown vasp52-ff-im-go-v 00000000011D46B9 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000118424F Unknown Unknown Unknown vasp52-ff-im-go-v 0000000001183A82 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000119487D Unknown Unknown Unknown vasp52-ff-im-go-v 0000000000461673 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040BB74 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040BAAC Unknown Unknown Unknown libc.so.6 0000003761A1D994 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040B9B9 Unknown Unknown Unknown forrtl: severe (29): file not found, unit 6, file /scratch/lq/1/04/stdout Image PC Routine Line Source vasp52-ff-im-go-v 000000000121CB5D Unknown Unknown Unknown vasp52-ff-im-go-v 000000000121B665 Unknown Unknown Unknown vasp52-ff-im-go-v 00000000011D46B9 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000118424F Unknown Unknown Unknown vasp52-ff-im-go-v 0000000001183A82 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000119487D Unknown Unknown Unknown vasp52-ff-im-go-v 0000000000461673 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040BB74 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040BAAC Unknown Unknown Unknown libc.so.6 0000003761A1D994 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040B9B9 Unknown Unknown Unknown forrtl: severe (29): file not found, unit 6, file /scratch/lq/1/02/stdout Image PC Routine Line Source vasp52-ff-im-go-v 000000000121CB5D Unknown Unknown Unknown vasp52-ff-im-go-v 000000000121B665 Unknown Unknown Unknown vasp52-ff-im-go-v 00000000011D46B9 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000118424F Unknown Unknown Unknown vasp52-ff-im-go-v 0000000001183A82 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000119487D Unknown Unknown Unknown vasp52-ff-im-go-v 0000000000461673 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040BB74 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040BAAC Unknown Unknown Unknown libc.so.6 0000003761A1D994 Unknown Unknown Unknown vasp52-ff-im-go-v 000000000040B9B9 Unknown Unknown Unknown rank 4 in job 1 c2_51396 caused collective abort of all ranks exit status of rank 4: return code 29 rank 3 in job 1 c2_51396 caused collective abort of all ranks exit status of rank 3: return code 29 rank 2 in job 1 c2_51396 caused collective abort of all ranks exit status of rank 2: return code 29 rank 0 in job 1 c2_51396 caused collective abort of all ranks exit status of rank 0: return code 29 出错信息 |
3楼2012-04-26 18:53:43
likai0106
金虫 (小有名气)
- 1ST强帖: 2
- 应助: 38 (小学生)
- 金币: 1352.4
- 帖子: 233
- 在线: 68.5小时
- 虫号: 634278
- 注册: 2008-10-23
- 性别: GG
- 专业: 凝聚态物性 II :电子结构
4楼2012-04-27 07:49:01
dxcharlary
专家顾问 (职业作家)
-

专家经验: +83 - 1ST强帖: 2
- 应助: 251 (大学生)
- 金币: 10398.6
- 散金: 155
- 红花: 65
- 帖子: 3137
- 在线: 757.1小时
- 虫号: 936718
- 注册: 2010-01-04
- 专业: 凝聚态物性I:结构、力学和
- 管辖: 第一性原理
5楼2012-04-27 11:09:56
6楼2012-07-07 21:45:22

7楼2014-03-28 21:04:42
guaiguaizhxd
木虫 (小有名气)
- 应助: 18 (小学生)
- 金币: 2381.3
- 红花: 11
- 帖子: 191
- 在线: 255.1小时
- 虫号: 1195834
- 注册: 2011-01-25
- 性别: GG
- 专业: 半导体物理

8楼2014-03-29 00:16:34
|
本帖内容被屏蔽 |
9楼2022-06-02 19:12:17
10楼2022-06-02 22:24:05













回复此楼


