| 查看: 2625 | 回复: 5 | |||
| 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】MS计算失败
|
|||
|
失败结果文件如下： +---------------- MEMORY AND SCRATCH DISK ESTIMATES PER NODE -----------------+ | Memory Disk | | Model and support data 178.6 MB 0.0 MB | | Electronic energy minimisation requirements 73.1 MB 0.0 MB | | ----------------------------- | | Approx. total storage required per node 251.7 MB 0.0 MB | | | | Requirements will fluctuate during execution and may exceed these estimates | +-----------------------------------------------------------------------------+ ------------------------------------------------------------------------ <-- SCF SCF loop Energy Fermi Energy gain Timer <-- SCF energy per atom (sec) <-- SCF ------------------------------------------------------------------------ <-- SCF Initial 5.82245797E+004 1.19122270E+002 10.56 <-- SCF Trapped SIGINT or SIGTERM. Exiting... Trapped SIGINT or SIGTERM. Exiting... Trapped SIGINT or SIGTERM. Exiting... Trapped SIGINT or SIGTERM. Exiting... Trapped SIGINT or SIGTERM. Exiting... Trapped SIGINT or SIGTERM. Exiting... forrtl: severe (174): SIGSEGV, segmentation fault occurred forrtl: severe (174): SIGSEGV, segmentation fault occurred forrtl: severe (174): SIGSEGV, segmentation fault occurred forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source libpthread.so.0 0000003C3DA0E68D Unknown Unknown Unknown castepexe_mpi.exe 0000000002C265AF Unknown Unknown Unknown libpthread.so.0 0000003C3DA064A7 Unknown Unknown Unknown libc.so.6 0000003C3D2D3C2D Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source libpthread.so.0 0000003C3DA0E68D Unknown Unknown Unknown castepexe_mpi.exe 0000000002C265AF Unknown Unknown Unknown libpthread.so.0 0000003C3DA064A7 Unknown Unknown Unknown libc.so.6 0000003C3D2D3C2D Unknown Unknown Unknown MPI Application rank 7 exited before MPI_Finalize() with status 174 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source castepexe_mpi.exe 0000000002496E45 Unknown Unknown Unknown castepexe_mpi.exe 0000000002291077 Unknown Unknown Unknown castepexe_mpi.exe 0000000002288CEB Unknown Unknown Unknown castepexe_mpi.exe 000000000226DCBE Unknown Unknown Unknown castepexe_mpi.exe 0000000000B23088 Unknown Unknown Unknown castepexe_mpi.exe 0000000000FC0ED5 Unknown Unknown Unknown castepexe_mpi.exe 0000000000F9CA38 Unknown Unknown Unknown castepexe_mpi.exe 0000000000F11175 Unknown Unknown Unknown castepexe_mpi.exe 000000000041749A Unknown Unknown Unknown castepexe_mpi.exe 0000000000412DDC Unknown Unknown Unknown libc.so.6 0000003C3D21D994 Unknown Unknown Unknown castepexe_mpi.exe 0000000000412D0A Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source castepexe_mpi.exe 0000000002C4B81D Unknown Unknown Unknown castepexe_mpi.exe 0000000002C4A325 Unknown Unknown Unknown castepexe_mpi.exe 0000000002B94DA9 Unknown Unknown Unknown castepexe_mpi.exe 0000000002B3B588 Unknown Unknown Unknown castepexe_mpi.exe 0000000002B40243 Unknown Unknown Unknown libpthread.so.0 0000003C3DA0E7C0 Unknown Unknown Unknown libpthread.so.0 0000003C3DA0E68D Unknown Unknown Unknown castepexe_mpi.exe 0000000002C265AF Unknown Unknown Unknown libpthread.so.0 0000003C3DA064A7 Unknown Unknown Unknown libc.so.6 0000003C3D2D3C2D Unknown Unknown Unknown 这个错误是我在计算表面结构时出现的，MS4.4/5.5都有这种情况，在“Trapped SIGINT or SIGTERM. Exiting...”之后的错误显示有很多种，但全是像上面那样在自洽第一步之后直接失败，实在不知道错在哪里，是软件的问题么，还是计算机群的问题，在计算参数方面，我认为没有错误（都是根据别人的参数），还请大虾指教，多谢！ |
回复此楼» 猜你喜欢
课题组会帮你通过考核么？
已经有6人回复
-
OpenAI又攻克数学难题了，离AI做有机合成还有多远？
已经有7人回复
-
售一区SCI文章T0P，我:8O.551.O54,科目全,可十急
已经有9人回复
-
售SCI一区T0P文章，我:8.O55.1.O.54,科目全,可十急
已经有8人回复
-
售SCI一区文章，我:8O5.5.1.O5.4,科目全,可伽急
已经有10人回复
-
售SCI一区T0P文章，我:8.O55.1.O.54,科目全,可十急
已经有9人回复
-
售SCI一区文章，我:8.O.55.1.O.54,科目齐全,可伽急
已经有7人回复
-
售SCI一区T0P文章，我:8.O.55.1.O54,科目全,可伽急
已经有9人回复
-
售SCI文章，我:8O5.5.1.O.54,科目齐全,可+急
已经有10人回复
-
售SCI一区T0P文章，我:8.O.55.1.O.5.4,科目全,可+急
已经有10人回复
» 本主题相关价值贴推荐，对您同样有帮助:
- MS的CASTEP计算一定要联网吗？
已经有4人回复
- MS discover 计算出错，请高手指点一下
已经有4人回复
- ms中吸附能的计算
已经有40人回复
- MS在计算BeF2时候出现了这样的错误
已经有7人回复
- MS5.5运行后只有一个CPU在运算，求解~~~
已经有14人回复
- 【求助】CASTEP计算出错，运行失败，请高手帮忙。
已经有11人回复
- 【求助】MS通讯失败
已经有4人回复
- 【求助】MS4.4 优化失败，但是此结构放在MS2.2却能优化成功
已经有14人回复
- 【原创】测试了一下，大概得出castep计算所需内存量与计算体系的关系！与大家共享！
已经有32人回复
- 【求助】用MS中CASTP模块优化TiO2的101面，计算失败问题
已经有19人回复
- 【求助】将MS数据文件转化成lammps data
已经有25人回复
- 【求助】ms模拟c纳米管问题
已经有17人回复
- 【求助】服务器Linux_MS4.0,最近提交任务总是失败，原因？
已经有6人回复
» 抢金币啦！回帖就可以得到:
-
2026年人文教育与社会发展国际会议（HESD 2026）
+1/857
-
深圳｜91年IT研发，期待一份不必伪装的长久陪伴。
+5/425
-
深圳｜91年IT研发，期待一份不必伪装的长久陪伴
+5/405
-
中国农大 课题组招收2027年9月入学的考核制博士生
+5/155
-
[Sensors] 特刊征稿
+1/99
-
上海交通大学招聘塑料催化裂解/甲醇重整制氢等方向博士后
+1/90
-
沈阳工业大学 环境电化学技术研究团队 招收硕士研究生（学硕/专硕）
+2/76
-
[Mathematics] 特刊征稿
+1/50
-
[Complex & Intelligent Systems] 专刊征稿
+1/50
-
爱丁顿实验
+1/33
-
高分辨质谱测试丨科研单位对外服务
+1/20
-
蛋白翻译后修饰：解码细胞功能调控的分子密码
+1/5
-
生物发酵罐气体智能管控，层流质量流量控制器如何赋能？
+1/5
-
委托检验的安全锁：质量保证协议，你签了吗？
+1/3
-
ICoEP（教育与心理学国际会议）
+1/2
-
ICoAAD（建筑、艺术与设计）
+1/2
-
仪器验证全生命周期管理：检测数据精准与否的前提
+1/2
-
细胞检定样品，您用对了吗？
+1/2
-
单细胞VDJ测序：从B细胞库中精准挖掘抗体药优势克隆
+1/1
-
CoEES（能源与地球科学）2027 International Conference on Energy and Earth Science
+1/1
5楼2013-02-12 12:38:03
|
+---------------- MEMORY AND SCRATCH DISK ESTIMATES PER NODE -----------------+ | Memory Disk | | Model and support data 425.6 MB 0.0 MB | | Electronic energy minimisation requirements 263.0 MB 0.0 MB | | ----------------------------- | | Approx. total storage required per node 688.6 MB 0.0 MB | | | | Requirements will fluctuate during execution and may exceed these estimates | +-----------------------------------------------------------------------------+ ------------------------------------------------------------------------ <-- SCF SCF loop Energy Fermi Energy gain Timer <-- SCF energy per atom (sec) <-- SCF ------------------------------------------------------------------------ <-- SCF Initial 5.87613083E+004 1.19526811E+002 46.47 <-- SCF Trapped SIGINT or SIGTERM. Exiting... Trapped SIGINT or SIGTERM. Exiting... Trapped SIGINT or SIGTERM. Exiting... Trapped SIGINT or SIGTERM. Exiting... Trapped SIGINT or SIGTERM. Exiting... Trapped SIGINT or SIGTERM. Exiting... Trapped SIGINT or SIGTERM. Exiting... Trapped SIGINT or SIGTERM. Exiting... Trapped SIGINT or SIGTERM. Exiting... MPI Application rank 4 killed before MPI_Finalize() with signal 11 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source libpthread.so.0 0000003C3DA0E68D Unknown Unknown Unknown castepexe_mpi.exe 0000000002C265AF Unknown Unknown Unknown libpthread.so.0 0000003C3DA064A7 Unknown Unknown Unknown libc.so.6 0000003C3D2D3C2D Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source libpthread.so.0 0000003C3DA0E68D Unknown Unknown Unknown castepexe_mpi.exe 0000000002C265AF Unknown Unknown Unknown libpthread.so.0 0000003C3DA064A7 Unknown Unknown Unknown libc.so.6 0000003C3D2D3C2D Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source castepexe_mpi.exe 0000000002496E45 Unknown Unknown Unknown castepexe_mpi.exe 0000000002291077 Unknown Unknown Unknown castepexe_mpi.exe 0000000002288CC9 Unknown Unknown Unknown castepexe_mpi.exe 000000000226DCBE Unknown Unknown Unknown castepexe_mpi.exe 0000000000B23088 Unknown Unknown Unknown castepexe_mpi.exe 0000000000FC0ED5 Unknown Unknown Unknown castepexe_mpi.exe 0000000000F9CA38 Unknown Unknown Unknown castepexe_mpi.exe 0000000000F11175 Unknown Unknown Unknown castepexe_mpi.exe 000000000041749A Unknown Unknown Unknown castepexe_mpi.exe 0000000000412DDC Unknown Unknown Unknown libc.so.6 0000003C3D21D994 Unknown Unknown Unknown castepexe_mpi.exe 0000000000412D0A Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred 这是我刚刚对模型进行性质计算出现的错误，仍是在自洽初始第一步之后出现问题 |
2楼2011-03-25 16:58:18
3楼2011-04-25 09:13:17
★
sunhg1983(金币+1):谢谢参与
sunhg1983(金币+1):谢谢参与
|
近期我版在做活动，去本主题分享资源，会有更多金币及更多下载关注，谢谢。 [交流] 【500金币分子模拟版块活动】“经验力场分子模拟+第一性原理计算问题讨论互助及资源共享” 详见：http://muchong.com/bbs/viewthread.php?tid=3119249&fpage=1 【有奖交流】积极回复本帖子，参与交流，就有机会分得作者 御剑江湖 的 500 个金币，回帖就立即获 得 1 个金币，每人有1次机会 |
4楼2011-04-25 09:40:39
