 |
 |
 |
 |
 |
 |
||
 |
 |
 |
 |
 |
| 2 | 1/1 | 返回列表 |
| 查看: 955 | 回復(fù): 1 | ||
[求助]
運行錯誤 求指導(dǎo)
|
|
----------------------------------------------------------------------------- | | | ADVICE TO THIS USER RUNNING 'VASP/VAMP' (HEAR YOUR MASTER'S VOICE ...): | | | | You have a (more or less) 'large supercell' and for larger cells | | it might be more efficient to use real space projection operators | | So try LREAL= Auto in the INCAR file. | | Mind: If you want to do a very accurate calculations keep the | | reciprocal projection scheme (i.e. LREAL=.FALSE.) | | | ----------------------------------------------------------------------------- LDA part: xc-table for Pade appr. of Perdew POSCAR, INCAR and KPOINTS ok, starting setup FFT: planning ...( 2 ) reading WAVECAR entering main loop N E dE d eps ncg rms rms(c) DAV: 1 0.913154921029E+03 0.91315E+03 -0.53707E+04 920 0.121E+03 DAV: 2 -0.122666294098E+03 -0.10358E+04 -0.99944E+03 1260 0.247E+02 DAV: 3 -0.283438413187E+03 -0.16077E+03 -0.15936E+03 1160 0.955E+01 DAV: 4 -0.292139206351E+03 -0.87008E+01 -0.86763E+01 1240 0.250E+01 DAV: 5 -0.292459875159E+03 -0.32067E+00 -0.32039E+00 1312 0.429E+00 0.335E+01 DAV: 6 -0.245699202624E+03 0.46761E+02 -0.18690E+02 1040 0.308E+01 0.948E+00 DAV: 7 -0.244828913868E+03 0.87029E+00 -0.11612E+01 1192 0.831E+00 0.573E+00 DAV: 8 -0.243949211399E+03 0.87970E+00 -0.25897E+00 1120 0.457E+00 0.133E+00 DAV: 9 -0.243877787624E+03 0.71424E-01 -0.35751E-01 1128 0.184E+00 0.803E-01 DAV: 10 -0.243869871045E+03 0.79166E-02 -0.19798E-01 1128 0.120E+00 0.442E-01 DAV: 11 -0.243872771551E+03 -0.29005E-02 -0.30800E-02 1056 0.571E-01 0.254E-01 DAV: 12 -0.243884975438E+03 -0.12204E-01 -0.25635E-02 992 0.391E-01 0.142E-01 DAV: 13 -0.243892019845E+03 -0.70444E-02 -0.43720E-03 1016 0.217E-01 0.730E-02 DAV: 14 -0.243895980226E+03 -0.39604E-02 -0.19591E-03 1008 0.143E-01 0.428E-02 DAV: 15 -0.243897195718E+03 -0.12155E-02 -0.39772E-04 1056 0.767E-02 0.193E-02 DAV: 16 -0.243897771309E+03 -0.57559E-03 -0.14071E-04 1032 0.472E-02 0.115E-02 DAV: 17 -0.243897932797E+03 -0.16149E-03 -0.20979E-05 1064 0.257E-02 0.715E-03 DAV: 18 -0.243897990779E+03 -0.57982E-04 -0.24712E-05 1088 0.181E-02 0.552E-03 DAV: 19 -0.243897991261E+03 -0.48170E-06 0.98824E-06 1168 0.982E-03 1 F= -.24389799E+03 E0= -.24389799E+03 d E =-.243898E+03 BRION: g(F)= 0.250E-04 g(S)= 0.258E-03 bond charge predicted N E dE d eps ncg rms rms(c) DAV: 1 -0.243898018990E+03 -0.28211E-04 -0.68796E-03 1040 0.283E-01 0.489E-02 DAV: 2 -0.243897965135E+03 0.53855E-04 -0.25164E-04 1040 0.484E-02 0.290E-02 DAV: 3 -0.243897926713E+03 0.38422E-04 -0.10206E-04 1128 0.326E-02 0.745E-03 DAV: 4 -0.243897925773E+03 0.93941E-06 -0.25801E-05 1096 0.150E-02 0.509E-03 DAV: 5 -0.243897923785E+03 0.19882E-05 -0.73552E-06 1008 0.698E-03 0.174E-03 DAV: 6 -0.243897923936E+03 -0.15067E-06 -0.39321E-06 600 0.363E-03 2 F= -.24389792E+03 E0= -.24389792E+03 d E =0.673250E-04 BRION: g(F)= 0.751E-04 g(S)= 0.577E-03 retain N= 1 mean eig= 0.47 eig: 0.468 bond charge predicted N E dE d eps ncg rms rms(c) DAV: 1 -0.243898071955E+03 -0.14817E-03 -0.43066E-03 992 0.219E-01 0.377E-02 DAV: 2 -0.243898050399E+03 0.21556E-04 -0.16981E-04 1056 0.395E-02 0.225E-02 DAV: 3 -0.243898038748E+03 0.11651E-04 -0.54864E-05 1064 0.221E-02 0.458E-03 DAV: 4 -0.243898038759E+03 -0.10592E-07 -0.91914E-06 1064 0.850E-03 3 F= -.24389804E+03 E0= -.24389804E+03 d E =-.114823E-03 BRION: g(F)= 0.778E-04 g(S)= 0.498E-04 retain N= 2 mean eig= 6.16 eig: 0.453 11.861 bond charge predicted N E dE d eps ncg rms rms(c) DAV: 1 -0.243898064768E+03 -0.26020E-04 -0.86760E-04 960 0.969E-02 0.108E-02 DAV: 2 -0.243898062080E+03 0.26881E-05 -0.30129E-05 1080 0.171E-02 0.776E-03 DAV: 3 -0.243898058602E+03 0.34782E-05 -0.73652E-06 1040 0.104E-02 0.156E-03 DAV: 4 -0.243898058659E+03 -0.56798E-07 0.80215E-07 664 0.415E-03 4 F= -.24389806E+03 E0= -.24389806E+03 d E =-.199002E-04 BRION: g(F)= 0.806E-05 g(S)= 0.424E-05 retain N= 2 mean eig= 0.37 eig: 0.369 0.369 reached required accuracy - stopping structural energy minimisation writing wavefunctions [djf-To-be-filled-by-O-E-M:17964] [[44100,1],0]-[[44100,0],0] mca_oob_tcp_msg_recv: readv failed: Connection timed out (110) [djf-To-be-filled-by-O-E-M:17964] [[44100,1],0] routed:binomial: Connection to lifeline [[44100,0],0] lost [djf-To-be-filled-by-O-E-M:17966] [[44100,1],2]-[[44100,0],0] mca_oob_tcp_msg_recv: readv failed: Connection timed out (110) [djf-To-be-filled-by-O-E-M:17966] [[44100,1],2] routed:binomial: Connection to lifeline [[44100,0],0] lost [djf-To-be-filled-by-O-E-M:17967] [[44100,1],3]-[[44100,0],0] mca_oob_tcp_msg_recv: readv failed: Connection timed out (110) [djf-To-be-filled-by-O-E-M:17967] [[44100,1],3] routed:binomial: Connection to lifeline [[44100,0],0] lost forrtl: error (78): process killed (SIGTERM) Image PC Routine Line Source libc.so.6 00002B34EAC38343 Unknown Unknown Unknown libmpi.so.1 00002B34E9D6A8F1 Unknown Unknown Unknown libmpi.so.1 00002B34E9D6C9B4 Unknown Unknown Unknown libmpi.so.1 00002B34E9D91001 Unknown Unknown Unknown mca_grpcomm_bad.s 00002B34ED8E7495 Unknown Unknown Unknown libmpi.so.1 00002B34E9CDFBEB Unknown Unknown Unknown libmpi_f77.so.1 00002B34E9A6FD69 Unknown Unknown Unknown vaspmpi 0000000000475D31 Unknown Unknown Unknown vaspmpi 000000000046E1AF Unknown Unknown Unknown vaspmpi 000000000042A2FC Unknown Unknown Unknown libc.so.6 00002B34EAB6576D Unknown Unknown Unknown vaspmpi 000000000042A1F9 Unknown Unknown Unknown -------------------------------------------------------------------------- mpirun has exited due to process rank 2 with PID 17966 on node djf-To-be-filled-by-O-E-M exiting improperly. There are two reasons this could occur: 1. this process did not call "init" before exiting, but others in the job did. This can cause a job to hang indefinitely while it waits for all processes to call "init". By rule, if one process calls "init", then ALL processes must call "init" prior to termination. 2. this process called "init", but exited without calling "finalize". By rule, all processes that call "init" MUST call "finalize" prior to exiting or it will be considered an "abnormal termination" This may have caused other processes in the application to be terminated by signals sent by mpirun (as reported here). |
回復(fù)此樓» 猜你喜歡
0703化學(xué) 305求調(diào)劑
已經(jīng)有6人回復(fù)
-
一志愿211，0703化學(xué)310分求調(diào)劑
已經(jīng)有3人回復(fù)
-
廣西大學(xué)材料導(dǎo)師推薦
已經(jīng)有5人回復(fù)
-
化學(xué)調(diào)劑
已經(jīng)有5人回復(fù)
-
資源與環(huán)境 調(diào)劑申請(333分)
已經(jīng)有4人回復(fù)
-
311求調(diào)劑
已經(jīng)有14人回復(fù)
-
269專碩求調(diào)劑
已經(jīng)有4人回復(fù)
-
085600材料與化工306
已經(jīng)有3人回復(fù)
-
一志愿西安交通大學(xué)材料工程專業(yè) 282分求調(diào)劑
已經(jīng)有12人回復(fù)
-
材料求調(diào)劑
已經(jīng)有5人回復(fù)
» 本主題相關(guān)價值貼推薦，對您同樣有幫助:
- 這個錯誤警告怎么回事啊？不能運行了
已經(jīng)有5人回復(fù)
- 【求助】VASP運行出錯
已經(jīng)有2人回復(fù)
- 用oniom方法優(yōu)化六肽的二聚體，結(jié)果報錯 求指導(dǎo)
已經(jīng)有6人回復(fù)
- in文件運行失敗（lost atoms）求助�。�
已經(jīng)有11人回復(fù)
- Fluent中UDF的編譯問題
已經(jīng)有25人回復(fù)
- 高斯運行錯誤的原因？out文件在下方，請大家指點一下！
已經(jīng)有12人回復(fù)
- 求牛人解決運行報錯問題
已經(jīng)有18人回復(fù)
- c++中dsw文件能正常運行,cpp編譯后不能正常運行是為什么
已經(jīng)有7人回復(fù)
- linux終端運行程序出錯，求大神幫忙
已經(jīng)有6人回復(fù)
- 急求fortran運行錯誤原因，在線等
已經(jīng)有7人回復(fù)
- Perl 生物信息學(xué)編程求助，運行出現(xiàn)問題，煩請幫忙查找一下錯誤，謝謝！
已經(jīng)有3人回復(fù)
- gromacs運行出錯，求方案，謝謝�。。�
已經(jīng)有6人回復(fù)
- linux下運行python報錯，不知原因
已經(jīng)有12人回復(fù)
- 求助matlab-simulink運行時報錯問題
已經(jīng)有3人回復(fù)
- 【求助成功】vasp測試K點收斂性的腳本問題
已經(jīng)有20人回復(fù)
- 【求助】運行l(wèi)insence有問題。如何裝我的MS5.5 ？？
已經(jīng)有6人回復(fù)
- 【求助】此程序沒有錯誤，怎么運行不出來？
已經(jīng)有6人回復(fù)
- 【求助】gaussian運行出現(xiàn)l103錯誤
已經(jīng)有8人回復(fù)
- 【求助】程序運行后出現(xiàn)的錯誤 access violation
已經(jīng)有15人回復(fù)
2樓2014-01-12 14:09:09
相關(guān)版塊跳轉(zhuǎn)
我要訂閱樓主 lzlgcdc 的主題更新
| 2 | 1/1 | 返回列表 |
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[考研] 廣西大學(xué)材料導(dǎo)師推薦 +3 | 夏夏夏小正 2026-03-17 | 5/250 |
|
|---|---|---|---|---|
|
|
[考研] 【考研調(diào)劑】化學(xué)專業(yè) 281分，一志愿四川大學(xué)，誠心求調(diào)劑 +11 | 吃吃吃才有意義 2026-03-19 | 11/550 |
|
|
[考研] 298求調(diào)劑 +4 | 上岸6666@ 2026-03-20 | 4/200 |
|
|
|
[考研] 306求0703調(diào)劑一志愿華中師范 +5 | 紙魚ly 2026-03-21 | 5/250 |
|
|
|
[考研] 一志愿華中科技大學(xué)071000，求調(diào)劑 +3 | 沿岸有貝殼6 2026-03-21 | 3/150 |
|
|
|
[考研] 328求調(diào)劑，英語六級551，有科研經(jīng)歷 +4 | 生物工程調(diào)劑 2026-03-17 | 8/400 |
|
|
|
[考研] 華東師范大學(xué)-071000生物學(xué)-293分-求調(diào)劑 +3 | 研究生何瑤明 2026-03-18 | 3/150 |
|
|
|
[考研]
 271材料工程求調(diào)劑
+8
|
.6lL 2026-03-18 | 8/400 |
|
|
|
[考研] 323求調(diào)劑 +3 | 洼小桶 2026-03-18 | 3/150 |
|
|
|
[考研] 中南大學(xué)化學(xué)學(xué)碩337求調(diào)劑 +3 | niko- 2026-03-19 | 6/300 |
|
|
|
[考研] 290求調(diào)劑 +7 | ^O^乜 2026-03-19 | 7/350 |
|
|
|
[考研] 353求調(diào)劑 +3 | 拉鉤不許變 2026-03-20 | 3/150 |
|
|
|
[論文投稿]
申請回稿延期一個月，編輯同意了。但系統(tǒng)上的時間沒變，給編輯又寫郵件了，沒回復(fù)
 10+3
|
wangf9518 2026-03-17 | 4/200 |
|
|
|
[考研] 材料學(xué)碩318求調(diào)劑 +5 | February_Feb 2026-03-19 | 5/250 |
|
|
|
[考研] 【同濟軟件】軟件（085405）考研求調(diào)劑 +3 | 2026eternal 2026-03-18 | 3/150 |
|
|
|
[考研] 293求調(diào)劑 +11 | zjl的號 2026-03-16 | 16/800 |
|
|
|
[考研] 290求調(diào)劑 +3 | p asserby. 2026-03-15 | 4/200 |
|
|
|
[考研]
11408 一志愿西電，277分求調(diào)劑
+3
|
zhouzhen654 2026-03-16 | 3/150 |
|
|
|
[考研] [導(dǎo)師推薦]西南科技大學(xué)國防/材料導(dǎo)師推薦 +3 | 尖角小荷 2026-03-16 | 6/300 |
|
|
|
[考研] 0856求調(diào)劑 +3 | 劉夢微 2026-03-15 | 3/150 |
|