| 查看: 1510 | 回复: 9 | |||
| 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 | |||
[求助]
vasp运行报错 已有3人参与
|
|||
|
各位大侠 我安装各种教程装了VASP，把四个输入文件放在一个文件夹内，再把vasp复制到这个文件夹中。 执行如下： [wangch@fat01 vasp.5.2]$ mpirun -np 16 vasp problem with execution of vasp on fat01: [Errno 2] No such file or directory problem with execution of vasp on fat01: [Errno 2] No such file or directory problem with execution of vasp on fat01: [Errno 2] No such file or directory problem with execution of vasp on fat01: [Errno 2] No such file or directory problem with execution of vasp on fat01: [Errno 2] No such file or directory problem with execution of vasp on fat01: [Errno 2] No such file or directory problem with execution of vasp on fat01: [Errno 2] No such file or directory problem with execution of vasp on fat01: [Errno 2] No such file or directory problem with execution of vasp on fat01: [Errno 2] No such file or directory problem with execution of vasp on fat01: [Errno 2] No such file or directory problem with execution of vasp on fat01: [Errno 2] No such file or directory problem with execution of vasp on fat01: [Errno 2] No such file or directory problem with execution of vasp on fat01: [Errno 2] No such file or directory problem with execution of vasp on fat01: [Errno 2] No such file or directory problem with execution of vasp on fat01: [Errno 2] No such file or directory problem with execution of vasp on fat01: [Errno 2] No such file or directory 总是出现这个报错，不知道到底什么原因？ |
回复此楼» 猜你喜欢
filecode
已经有13人回复
-
应该是93bebmhtak前后十一个字符比较关键
已经有35人回复
-
长年满屏的广告，版主太不责任了。基金也等的急
已经有3人回复
-
不应该看fileCode
已经有4人回复
-
FileCode能看出啥？
已经有19人回复
-
2019年青年基金涵评意见，大家看看几个A，几个B?
已经有5人回复
-
职称评审，求友友推荐见刊最快的期刊
已经有4人回复
-
奇怪，两个人的filecode固定段从头到尾一模一样
已经有10人回复
-
综述论文作为代表作会不会影响评审专家的印象分？
已经有13人回复
-
是这周出结果还是下周出结果？
已经有3人回复
» 本主题相关价值贴推荐，对您同样有帮助:
- 救命啊！VASP计算磁性出错
已经有14人回复
- 这个错误警告怎么回事啊？不能运行了
已经有5人回复
- VASP中如何查看正在运行程序的源文件
已经有3人回复
- vasp计算弹性时的错误（使用defvector方法）
已经有25人回复
- VASP 运行报错
已经有11人回复
- vasp运行报错。。。求助啊
已经有5人回复
- 求牛人解决运行报错问题
已经有18人回复
- vasp计算突然中途停止 没有报错提示
已经有12人回复
- 求助vasp编译好后无法运行问题？？
已经有24人回复
- VASP并行计算出错
已经有9人回复
- vasp计算过渡态问题
已经有13人回复
- vaspVTST安装出现这样的错误，是什么原因
已经有9人回复
- vasp跨节点运行出错，mpiexec_node-1 (handle_stdin_input 1089)
已经有5人回复
- vasp并行测试时出错。
已经有7人回复
- vasp 并行运算出错
已经有7人回复
- 【求助】vasp报错，WARNING in EDDRMM
已经有13人回复
- 【求助完结】vasp优化结构运行一段时间后没有出现错误，但是停止了！
已经有20人回复
- 【其他】VASP运行出现这样的错误提示，这是什么原因呢
已经有7人回复
- 【求助】vasp运行时mpi报错
已经有12人回复
- 【求助】vasp计算的结果显示segmentation fault是什么错误
已经有5人回复
- 【求助成功】单机编译并行VASP，出现语法错误
已经有6人回复
- 【求助】vasp运行问题
已经有7人回复
- 【求助】vasp编译时，报错：cannot find -lmkl_em64t
已经有11人回复
- 【求助】vasp5.2异常退出的问题
已经有16人回复
|
之后我按照提示输入mpd & 再运行 [wangch@fat01 test]$ mpd & [1] 175272 [wangch@fat01 test]$ mpirun -np 16 vasp vasp: error while loading shared libraries: libmpi_f90.so.0: cannot open shared object file: No such file or directory vasp: error while loading shared libraries: libmpi_f90.so.0: cannot open shared object file: No such file or directory vasp: error while loading shared libraries: libmpi_f90.so.0: cannot open shared object file: No such file or directory vasp: error while loading shared libraries: libmpi_f90.so.0: cannot open shared object file: No such file or directory vasp: error while loading shared libraries: libmpi_f90.so.0: cannot open shared object file: No such file or directory vasp: error while loading shared libraries: libmpi_f90.so.0: cannot open shared object file: No such file or directory vasp: error while loading shared libraries: libmpi_f90.so.0: cannot open shared object file: No such file or directory vasp: error while loading shared libraries: libmpi_f90.so.0: cannot open shared object file: No such file or directory vasp: error while loading shared libraries: libmpi_f90.so.0: cannot open shared object file: No such file or directory vasp: error while loading shared libraries: libmpi_f90.so.0: cannot open shared object file: No such file or directory vasp: error while loading shared libraries: libmpi_f90.so.0: cannot open shared object file: No such file or directory vasp: error while loading shared libraries: libmpi_f90.so.0: cannot open shared object file: No such file or directory vasp: error while loading shared libraries: libmpi_f90.so.0: cannot open shared object file: No such file or directory vasp: error while loading shared libraries: libmpi_f90.so.0: cannot open shared object file: No such file or directory vasp: error while loading shared libraries: libmpi_f90.so.0: cannot open shared object file: No such file or directory vasp: error while loading shared libraries: libmpi_f90.so.0: cannot open shared object file: No such file or directory 说缺少这个库文件 非常纳闷 当时编译通过还能找不到这个库文件吗？ |
8楼2014-09-25 18:49:19
shuyuan8239
木虫 (正式写手)
- 应助: 71 (初中生)
- 金币: 277.7
- 散金: 52
- 红花: 15
- 帖子: 461
- 在线: 409小时
- 虫号: 641832
- 注册: 2008-10-31
- 性别: GG
- 专业: 催化化学
2楼2014-09-25 08:45:48
|
incar system= Clean relaxation calculation #Startparameter for this run ISTART=0 ICHARG=2 ISPIN=2 PREC=Medium ENCUT= 450 GGA= PE ALGO=FAST #Electronic relaxation NELM=400; NELMIN=10; NELMDL=8 WEIMIN=0 LREAL=AUTO EDIFF=0.1E-3 ISMEAR=0; SIGMA=0.02 LMAXMIX=4 AMIX = 0.2 BMIX = 0.00001 AMIX_MAG = 0.8 BMIX_MAG = 0.00001 #Ionic relaxation EDIFFG=-0.02 NSW=500 IBRION=2 ISIF=3 ISYM=0 POTIM=0.3 #Write flag LWAVE=.F. LCHARG=.F. kpoint con0.0 0 Gamma point shift 4 4 4 0 0 0 poscar Si 1.0 5.4306998253 0.0000000000 0.0000000000 0.0000000000 5.4306998253 0.0000000000 0.0000000000 0.0000000000 5.4306998253 Si 8 Cartesian 0.000000000 0.000000000 0.000000000 0.000000000 2.715349913 2.715349913 2.715349913 2.715349913 0.000000000 2.715349913 0.000000000 2.715349913 4.073024869 1.357674956 4.073024869 1.357674956 1.357674956 1.357674956 1.357674956 4.073024869 4.073024869 4.073024869 4.073024869 1.357674956 实际我只是想测试一下我的vasp是不是真正编译成功可用了 用了一个很简单的Si |
3楼2014-09-25 12:02:21
4楼2014-09-25 12:23:53
