| 5 | 1/1 | 返回列表 |
| 查看: 2087 | 回復(fù): 7 | |||
| 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 | |||
[求助]
vasp腳本運(yùn)行問(wèn)題
|
|||
|
#! /bin/bash rm WAVECAR for i in 3.5 3.6 3.7 3.8 3.9 4.0 4.1 4.2 4.3 ; do cat >POSCAR < fcc: $i 0.5 0.5 0.0 0.0 0.5 0.5 0.5 0.0 0.5 1 cartesian 0 0 0 ! echo "a= $i" mpirun -np 8 /usr/local/vasp.4.6/vasp > out& E=`tail -1 OSZICAR` ; echo $i $E >>SUMMARY.fcc done cat SUMMARY.fcc 運(yùn)行時(shí)出現(xiàn)下列問(wèn)題,請(qǐng)各位大俠指教 rm: cannot remove `WAVECAR': No such file or directory a= 3.5 tail: cannot open `OSZICAR' for reading: No such file or directory a= 3.6 tail: cannot open `OSZICAR' for reading: No such file or directory a= 3.7 tail: cannot open `OSZICAR' for reading: No such file or directory a= 3.8 tail: cannot open `OSZICAR' for reading: No such file or directory a= 3.9 tail: cannot open `OSZICAR' for reading: No such file or directory a= 4.0 tail: cannot open `OSZICAR' for reading: No such file or directory a= 4.1 tail: cannot open `OSZICAR' for reading: No such file or directory a= 4.2 tail: cannot open `OSZICAR' for reading: No such file or directory a= 4.3 tail: cannot open `OSZICAR' for reading: No such file or directory 3.5 3.6 3.7 3.8 3.9 4.0 4.1 4.2 4.3 [renjie@power5506 2_1_fccSi]$ poll: protocol failure in circuit setup poll: protocol failure in circuit setup poll: protocol failure in circuit setup poll: protocol failure in circuit setup poll: protocol failure in circuit setup poll: protocol failure in circuit setup poll: protocol failure in circuit setup poll: protocol failure in circuit setup |
納米能源與計(jì)算模擬 |
榮譽(yù)版主 (著名寫手)
捐助貴賓 (正式寫手)

榮譽(yù)版主 (著名寫手)
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[考研] 362求調(diào)劑 +14 | 西南交材料專碩3 2026-03-31 | 14/700 |
|
|---|---|---|---|---|
|
[考研] 材料調(diào)劑 +6 | 一樣YWY 2026-04-02 | 6/300 |
|
|
[考研] 288求調(diào)劑 一志愿哈工大 材料與化工 +30 | 洛神哥哥 2026-03-31 | 32/1600 |
|
|
[考研] 0856材料與化工調(diào)劑,339 +13 | 10213207 2026-03-31 | 13/650 |
|
|
[考研] 261求B區(qū)調(diào)劑 +5 | 明仔· 2026-04-01 | 7/350 |
|
|
[考研] 372求調(diào)劑 +3 | jj涌77 2026-04-02 | 3/150 |
|
|
[考研] 求調(diào)劑,一志愿南京師范大學(xué)計(jì)算機(jī)專碩,初試373,六級(jí)通過(guò), +3 | 計(jì)算機(jī)追夢(mèng)人 2026-04-01 | 3/150 |
|
|
[考研] 286求調(diào)劑 +5 | Sa67890. 2026-04-01 | 7/350 |
|
|
[考研] 353求調(diào)劑 +4 | 拉鉤不許變 2026-04-01 | 4/200 |
|
|
[考研] 326求調(diào)劑 +4 | 崽崽仔 2026-03-31 | 4/200 |
|
|
[考研] 0856材料化工調(diào)劑 總分330 +18 | zhubinhao 2026-03-27 | 18/900 |
|
|
[考研] 合肥區(qū)域性重點(diǎn)一本招收調(diào)劑 +4 | 6266jl 2026-03-30 | 8/400 |
|
|
[考研] 318求調(diào)劑 +10 | 陳晨79 2026-03-30 | 10/500 |
|
|
[考研] 求調(diào)劑 +9 | akdhjs 2026-03-31 | 10/500 |
|
|
[考研] 081200-11408-276學(xué)碩求調(diào)劑 +4 | 崔wj 2026-03-31 | 4/200 |
|
|
[考研] 求調(diào)劑 +10 | 家佳佳佳佳佳 2026-03-29 | 10/500 |
|
|
[考研] 一志愿雙一流機(jī)械285分求調(diào)劑 +4 | 幸運(yùn)的三木 2026-03-29 | 5/250 |
|
|
[考研] 085405 考的11408求各位老師帶走 +3 | Qiu學(xué)ing 2026-03-28 | 3/150 |
|
|
[考研] 340求調(diào)劑 +5 | jhx777 2026-03-27 | 5/250 |
|
|
[考研] 266求調(diào)劑 +11 | 陽(yáng)陽(yáng)哇塞 2026-03-27 | 12/600 |
|