 |
 |
 |
 |
 |
 |
||
 |
 |
 |
 |
 |
| 5 | 1/1 | 返回列表 |
| 查看: 2694 | 回復(fù): 6 | ||
| 當前只顯示滿足指定條件的回帖，點擊這里查看本話題的所有回帖 | ||
nehcevol鐵蟲 (初入文壇)
|
[求助]
求助VASP能帶計算的中斷原因
|
|
|
我用的兩個節(jié)點并行計算。發(fā)現(xiàn)算能帶結(jié)構(gòu)時，到最后一步總是出錯，是否是因為最后寫入波函數(shù)需要大內(nèi)存，導(dǎo)致退出呢？ 具體log如下所示： 而在OUTCAR的結(jié)尾，則可以看到如下信息 [ Last edited by nehcevol on 2013-1-26 at 13:21 ] |
回復(fù)此樓» 猜你喜歡
材料292調(diào)劑
已經(jīng)有6人回復(fù)
-
材料與化工考研調(diào)劑
已經(jīng)有6人回復(fù)
-
0703化學(xué)調(diào)劑，求導(dǎo)師收
已經(jīng)有3人回復(fù)
-
生物學(xué)學(xué)碩求調(diào)劑
已經(jīng)有6人回復(fù)
-
305分求調(diào)劑（食品工程）
已經(jīng)有7人回復(fù)
-
299求調(diào)劑
已經(jīng)有6人回復(fù)
-
085404電子信息284分求調(diào)劑
已經(jīng)有4人回復(fù)
-
收08調(diào)劑生
已經(jīng)有3人回復(fù)
-
081700 調(diào)劑 267分
已經(jīng)有9人回復(fù)
-
293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:
- vasp畫能帶圖的疑問
已經(jīng)有12人回復(fù)
- 求助！沒有CHGCAR和WAVECAR生成！以前都有的，到底出了什么毛病~
已經(jīng)有17人回復(fù)
- 問題：vasp計算突然中斷，cpu利用率顯示為0，這是什么情況，沒有斷電
已經(jīng)有3人回復(fù)
- 求助關(guān)于用vasp計算二維石墨烯納米帶所得到的能帶結(jié)果與報道對不上
已經(jīng)有7人回復(fù)
- 求處理vasp能帶的小程序
已經(jīng)有14人回復(fù)
- 提取VASP的波函數(shù)，畫出按角動量著色的絢麗能帶結(jié)構(gòu)
已經(jīng)有8人回復(fù)
- 能帶計算 vasp
已經(jīng)有11人回復(fù)
- 【求助】VASP計算體系性能沒有f能帶電子
已經(jīng)有24人回復(fù)
- 【求助】vasp計算Partial Charge，能帶交叉的如何確定IBAND？
已經(jīng)有13人回復(fù)
- 【求助】VASP計算能帶時KPOINTS設(shè)置出錯
已經(jīng)有14人回復(fù)
- 【求助】vasp靜自洽計算中斷如何繼續(xù)
已經(jīng)有10人回復(fù)
- 【求助成功】VASP算出來的能帶和DOS圖對應(yīng)不上，哪里出了問題？
已經(jīng)有20人回復(fù)
- 【求助】Vasp計算能帶結(jié)構(gòu)，高對稱點如何在origin中表示
已經(jīng)有17人回復(fù)
- 【求助】求VASP計算ZnO能帶和態(tài)密度的詳細輸入設(shè)置
已經(jīng)有15人回復(fù)
- 【求助】請教vasp如何使本征值按每條能帶輸出
已經(jīng)有18人回復(fù)
fzx2008
榮譽版主 (著名寫手)
- 1ST強帖: 9
- 應(yīng)助: 272 (大學(xué)生)
- 貴賓: 1.045
- 金幣: 21814.1
- 散金: 710
- 紅花: 33
- 沙發(fā): 1
- 帖子: 1808
- 在線: 1601小時
- 蟲號: 621341
- 注冊: 2008-10-09
- 性別: GG
- 專業(yè): 凝聚態(tài)物性 II ：電子結(jié)構(gòu)
- 管轄: 第一性原理
3樓2013-01-28 09:54:11
llh2010
至尊木蟲 (著名寫手)
- 應(yīng)助: 34 (小學(xué)生)
- 金幣: 10007.8
- 散金: 14
- 紅花: 11
- 帖子: 1614
- 在線: 350.1小時
- 蟲號: 1471268
- 注冊: 2011-11-01
- 性別: GG
- 專業(yè): 原子和分子物理
2樓2013-01-28 09:02:14
|
我也遇到類似情況，發(fā)現(xiàn)服務(wù)器內(nèi)存沒有用到多少？是不是并行環(huán)境有問題？謝謝！ DA part: xc-table for Pade appr. of Perdew POSCAR, INCAR and KPOINTS ok, starting setup WARNING: small aliasing (wrap around) errors must be expected FFT: planning ...( 1 ) WAVECAR not read entering main loop N E dE d eps ncg rms rms(c) rank 14 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 14: killed by signal 9 rank 12 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 12: killed by signal 9 rank 35 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 35: killed by signal 9 rank 29 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 29: killed by signal 9 rank 28 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 28: killed by signal 9 rank 27 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 27: killed by signal 9 rank 26 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 26: killed by signal 9 rank 25 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 25: killed by signal 11 rank 24 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 24: killed by signal 11 rank 47 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 47: killed by signal 11 rank 46 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 46: killed by signal 9 rank 45 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 45: killed by signal 9 rank 38 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 38: killed by signal 9 rank 37 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 37: killed by signal 9 rank 36 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 36: killed by signal 11 rank 11 in job 1 node1_56151 caused collective abort of all ranks exit status of rank 11: killed by signal 9 |
4樓2013-01-28 23:45:25
5樓2013-01-29 18:45:56
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[考研] 求調(diào)劑 +5 | 研研，接電話 2026-03-24 | 6/300 |
|
|---|---|---|---|---|
|
|
[基金申請] 請教下大家 2026年國家基金申請是雙盲審嗎？ +3 | lishucheng1 2026-03-22 | 5/250 |
|
|
[考研] 材料專業(yè)求調(diào)劑 +11 | hanamiko 2026-03-18 | 11/550 |
|
|
|
[考研] 0703化學(xué)求調(diào)劑 +4 | 奶油草莓. 2026-03-22 | 5/250 |
|
|
|
[考研] 333求調(diào)劑 +3 | ALULU4408 2026-03-23 | 3/150 |
|
|
|
[考研] 上海電力大學(xué)材料防護與新材料重點實驗室招收調(diào)劑研究生（材料、化學(xué)、電化學(xué)，環(huán)境） +3 | 我愛學(xué)電池 2026-03-23 | 3/150 |
|
|
|
[考研] 招08考數(shù)學(xué) +6 | laoshidan 2026-03-20 | 14/700 |
|
|
|
[考研] 263求調(diào)劑 +6 | yqdszhdap－ 2026-03-22 | 9/450 |
|
|
|
[考研] 323求調(diào)劑 +6 | 洼小桶 2026-03-18 | 6/300 |
|
|
|
[考研] 293求調(diào)劑 +3 | 濤濤Wjt 2026-03-22 | 5/250 |
|
|
|
[考研] 求調(diào)劑院校信息 +6 | CX 330 2026-03-21 | 6/300 |
|
|
|
[考研] 286分人工智能專業(yè)請求調(diào)劑愿意跨考！ +4 | lemonzzn 2026-03-17 | 8/400 |
|
|
|
[考研] 材料求調(diào)劑 +5 | @taotao 2026-03-21 | 5/250 |
|
|
|
[考研] 考研調(diào)劑 +3 | 呼呼？~+123456 2026-03-21 | 3/150 |
|
|
|
[考研] 求調(diào)劑 +3 | .m.. 2026-03-21 | 4/200 |
|
|
|
[考研] 南昌大學(xué)材料專碩311分求調(diào)劑 +6 | 77chaselx 2026-03-20 | 6/300 |
|
|
|
[考研] 一志愿西南交大，求調(diào)劑 +5 | 材化逐夢人 2026-03-18 | 5/250 |
|
|
|
[考研] 一志愿 西北大學(xué) ，070300化學(xué)學(xué)碩，總分287，雙非一本，求調(diào)劑。 +4 | 晨昏線與星海 2026-03-19 | 4/200 |
|
|
|
[考研] 353求調(diào)劑 +3 | 拉鉤不許變 2026-03-20 | 3/150 |
|
|
|
[考研] 材料工程專碩調(diào)劑 +5 | 204818@lcx 2026-03-17 | 6/300 |
|