 |
 |
 |
 |
 |
 |
||
 |
 |
 |
 |
 |
| 5 | 1/1 | 返回列表 |
| 查看: 1799 | 回復(fù): 3 | ||
| 當(dāng)前只顯示滿足指定條件的回帖，點(diǎn)擊這里查看本話題的所有回帖 | ||
guodonglin至尊木蟲(chóng) (職業(yè)作家)
|
[求助]
運(yùn)行vasp后報(bào)錯(cuò) 已有1人參與
|
|
|
我的體系比較大，有96個(gè)原子，所以我用了實(shí)空間，請(qǐng)大家?guī)臀铱纯磮?bào)錯(cuò)信息， POTLOK: cpu time 0.47: real time 0.47 SETDIJ: cpu time 0.07: real time 0.07 EDDIAG: cpu time 372.15: real time 372.19 WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 32 WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 3 WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 4 WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 11 WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 15 WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 3 WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 4 WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 12 WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 3 WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 12 WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 3 WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 12 WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 4 WARNING in EDDRMM: call to ZHEGV failed, returncode = 8 4 12 [ 來(lái)自科研家族 磁性材料 ] |
回復(fù)此樓» 猜你喜歡
材料與化工（0856）304求B區(qū)調(diào)劑
已經(jīng)有7人回復(fù)
-
085600材料與化工調(diào)劑
已經(jīng)有8人回復(fù)
-
285求調(diào)劑
已經(jīng)有7人回復(fù)
-
317求調(diào)劑
已經(jīng)有7人回復(fù)
-
一志愿華中師范化學(xué)332分求調(diào)劑
已經(jīng)有3人回復(fù)
-
一志愿北京化工大學(xué)材料與化工（085600）296求調(diào)劑
已經(jīng)有25人回復(fù)
-
一志愿南昌大學(xué)324求調(diào)劑
已經(jīng)有9人回復(fù)
-
材料科學(xué)與工程 317求調(diào)劑
已經(jīng)有7人回復(fù)
-
085701環(huán)境工程求調(diào)劑
已經(jīng)有11人回復(fù)
-
286分調(diào)劑
已經(jīng)有10人回復(fù)
» 本主題相關(guān)商家推薦: (我也要在這里推廣)
» 本主題相關(guān)價(jià)值貼推薦，對(duì)您同樣有幫助:
- vasp 并行運(yùn)算出錯(cuò)
已經(jīng)有7人回復(fù)
- 【求助】VASP運(yùn)行問(wèn)題
已經(jīng)有6人回復(fù)
- 【求助完結(jié)】vasp優(yōu)化結(jié)構(gòu)運(yùn)行一段時(shí)間后沒(méi)有出現(xiàn)錯(cuò)誤，但是停止了！
已經(jīng)有20人回復(fù)
- 【求助】VASP運(yùn)行沒(méi)有報(bào)錯(cuò)但是沒(méi)有內(nèi)容輸出，急……
已經(jīng)有13人回復(fù)
- 【求助】vasp的運(yùn)行時(shí)候報(bào)錯(cuò)：Error reading item 'IMAGES' from file INCAR.
已經(jīng)有13人回復(fù)
- 【求助】為什么運(yùn)行vasp機(jī)器卡的厲害
已經(jīng)有10人回復(fù)
- 【求助】編譯過(guò)程沒(méi)有報(bào)錯(cuò)，運(yùn)行vasp提示找不到libmkl_intel_lp64.so
已經(jīng)有6人回復(fù)
- 【求助】vasp運(yùn)行時(shí)mpi報(bào)錯(cuò)
已經(jīng)有12人回復(fù)
- 【求助成功】VASP運(yùn)行錯(cuò)誤
已經(jīng)有6人回復(fù)
- 【求助】vasp運(yùn)行問(wèn)題
已經(jīng)有7人回復(fù)
青丘數(shù)
新蟲(chóng) (初入文壇)
- 應(yīng)助: 0 (幼兒園)
- 金幣: 135.2
- 帖子: 49
- 在線: 27.9小時(shí)
- 蟲(chóng)號(hào): 4469532
- 注冊(cè): 2016-03-05
- 專業(yè): 凝聚態(tài)物性I:結(jié)構(gòu)、力學(xué)和
4樓2020-06-28 15:02:48
06022045
金蟲(chóng) (小有名氣)
- 應(yīng)助: 10 (幼兒園)
- 金幣: 1159.2
- 紅花: 1
- 帖子: 241
- 在線: 115小時(shí)
- 蟲(chóng)號(hào): 1261829
- 注冊(cè): 2011-04-11
- 專業(yè): 凝聚態(tài)物性I:結(jié)構(gòu)、力學(xué)和
2樓2012-01-04 17:51:45
mazuju028
木蟲(chóng) (正式寫手)
- 1ST強(qiáng)帖: 2
- 應(yīng)助: 30 (小學(xué)生)
- 貴賓: 0.141
- 金幣: 2794.4
- 散金: 528
- 紅花: 10
- 帖子: 942
- 在線: 419.4小時(shí)
- 蟲(chóng)號(hào): 668835
- 注冊(cè): 2008-12-05
- 性別: GG
- 專業(yè): 凝聚態(tài)物性 II ：電子結(jié)構(gòu)
【答案】應(yīng)助回帖
★
感謝參與，應(yīng)助指數(shù) +1
liliangfang(金幣+1, 專家考核): 多謝指教 2012-01-04 18:20:20
感謝參與，應(yīng)助指數(shù) +1
liliangfang(金幣+1, 專家考核): 多謝指教 2012-01-04 18:20:20
|
這個(gè)原因很多，可能的改正方法： 1) 快速算法不合適，修改ALGO； The diagonalization algorithm is not stable for your system -> Change ALGO = Normal or ALGO = Fast in your INCAR file 2) 構(gòu)型不合理，修改離子算法 Your geometry is not reasonable. Maybe your initial structure or the algorithm handling ion relaxation is giving a bad structure -> Switch to a different ion relaxation scheme (IBRION line in your INCAR) -> Reduce the step size of the first step by reducing the POTIM value in your INCAR 3) Problem with your LAPACK installation -> Use the LAPACK routines that came with the VASP library tar-file (vasp.4.lib) 4) If the error does not go away even if you already did the thing described in part 1 (ALGO change), then there may be a problem with LAPACK. -> Disable the calls to ZHEGV subroutine. This can be done by commenting the line # define USE_ZHEEVX in subroutines davidson.F, subrot.F and wavpre_noio.F. -> Recompile VASP after you changed the subroutines 5) I was using 32 cpu when I took the error and the error disappeared for 16 cpu. 6) Please try if it works by adding "LSCALAPACK = .FALSE." in your INCAR. 7) We found that there's an error in the way VASP calculates k-points when using the Monkhorst-pack scheme and that the problem would be fixed if we used Gamma centered instead. [ Last edited by mazuju028 on 2012-1-4 at 18:04 ] |
3樓2012-01-04 18:02:49
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[考研] 085600材料與化工調(diào)劑 +8 | kikiki7 2026-03-30 | 8/400 |
|
|---|---|---|---|---|
|
[考研] 生物學(xué) 296 求調(diào)劑 +5 | 朵朵- 2026-03-26 | 7/350 |
|
|
|
[考研] 材料工程專碩求調(diào)劑 +7 | hyl3153942 2026-03-29 | 7/350 |
|
|
|
[考研] 289求調(diào)劑 +16 | 新時(shí)代材料 2026-03-27 | 16/800 |
|
|
|
[有機(jī)交流] 考研調(diào)劑 +8 | watb 2026-03-26 | 8/400 |
|
|
|
[考研] 一志愿南開(kāi)大學(xué)0710生物學(xué)359求調(diào)劑 +5 | 兔兔兔111223314 2026-03-29 | 7/350 |
|
|
|
[考研] 化學(xué)0703 調(diào)劑 306分 一志愿211 +8 | 26要上岸 2026-03-28 | 8/400 |
|
|
|
[考研] 329求調(diào)劑 +8 | 星野? 2026-03-26 | 8/400 |
|
|
|
[考研] 0703化學(xué)/290求調(diào)劑/本科經(jīng)歷豐富/工科也可 +13 | 丹青奶蓋 2026-03-26 | 15/750 |
|
|
|
[考研] 291求調(diào)劑 +5 | Y-cap 2026-03-29 | 6/300 |
|
|
|
[考研] 349求調(diào)劑 +6 | 李木子啊哈哈 2026-03-25 | 6/300 |
|
|
|
[考研] 085602 化工專碩 338分 求調(diào)劑 +12 | 路癡小琪 2026-03-27 | 12/600 |
|
|
|
[考研] 312，生物學(xué)求調(diào)劑 +3 | 小譯同學(xué)abc 2026-03-28 | 3/150 |
|
|
|
[考研] 求調(diào)劑 +6 | 蘆lty 2026-03-25 | 7/350 |
|
|
|
[考研] 331環(huán)境科學(xué)與工程求調(diào)劑 +3 | 熠然好運(yùn)氣 2026-03-27 | 3/150 |
|
|
|
[考研] 279 分 求調(diào)劑 +4 | 睡個(gè)好覺(jué)_16 2026-03-24 | 4/200 |
|
|
|
[考研] 314求調(diào)劑 +3 | 溪云珂 2026-03-26 | 3/150 |
|
|
|
[考研] 一志愿吉大071010，316分求調(diào)劑 +3 | xgbiknn 2026-03-27 | 3/150 |
|
|
|
[考研] 環(huán)境專碩324分求調(diào)劑推薦 +5 | 軒小寧—— 2026-03-26 | 5/250 |
|
|
|
[考研] 材料專碩331求調(diào)劑 +4 | 鮮當(dāng)牛 2026-03-24 | 4/200 |
|