AV兄

木蟲 (正式寫手)

應(yīng)助: 8 (幼兒園)
金幣: 654.8
散金: 350
紅花: 9
帖子: 319
在線: 598.1小時
蟲號: 2129181
注冊: 2012-11-15
專業(yè): 化學(xué)反應(yīng)工程

[求助] VASP并行安裝出現(xiàn)問題

VASP.5.2并行安裝時，make之后，最后出現(xiàn)這：
/opt/intel/composer_xe_2013.2.146/compiler/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail

回復(fù)此樓

» 猜你喜歡

生物學(xué)學(xué)碩求調(diào)劑已經(jīng)有5人回復(fù)
284求調(diào)劑已經(jīng)有10人回復(fù)
一志愿山東大學(xué)藥學(xué)學(xué)碩求調(diào)劑已經(jīng)有4人回復(fù)
07化學(xué)280分求調(diào)劑已經(jīng)有4人回復(fù)
298-一志愿中國農(nóng)業(yè)大學(xué)-求調(diào)劑已經(jīng)有12人回復(fù)
求材料，環(huán)境專業(yè)調(diào)劑已經(jīng)有3人回復(fù)
335求調(diào)劑已經(jīng)有5人回復(fù)
求調(diào)劑已經(jīng)有7人回復(fù)
一志愿吉大化學(xué)322求調(diào)劑已經(jīng)有4人回復(fù)
環(huán)境學(xué)碩288求調(diào)劑已經(jīng)有8人回復(fù)

» 本主題相關(guān)價值貼推薦，對您同樣有幫助:

VASP5.2串行安裝出現(xiàn)的問題已經(jīng)有10人回復(fù)
vasp 5.2 安裝過程 (串行+并行）+(32位+64位) + ifort +intel MKL+ openmpi 已經(jīng)有47人回復(fù)
vasp5.3并行編譯錯誤，求助已經(jīng)有14人回復(fù)
安裝vasp時，出現(xiàn)如下錯誤，應(yīng)該怎么解決，求助？已經(jīng)有5人回復(fù)
vasp串行，并行編譯成功，但很奇怪。已經(jīng)有23人回復(fù)
請問單機(jī)裝VASP，裝并行好還是串行好？已經(jīng)有15人回復(fù)
VASP5.2版本并行安裝時出問題了，已經(jīng)到最后一步了已經(jīng)有28人回復(fù)
vasp并行運算出現(xiàn)問題：mpivars.sh: No such file or directory 已經(jīng)有3人回復(fù)
簡單的vasp幾個節(jié)點并行問題，求大神幫助�。。。。。。。。。。。。。。�！已經(jīng)有3人回復(fù)
單機(jī)編譯安裝vasp求指導(dǎo) 已經(jīng)有10人回復(fù)
安裝lammps并行編譯時出現(xiàn)的問題已經(jīng)有5人回復(fù)
vasp 集群并行出錯已經(jīng)有7人回復(fù)
VASP并行計算出錯已經(jīng)有9人回復(fù)
VASP XCrysDenPWscf 單機(jī)安裝教程(linux) 已經(jīng)有12人回復(fù)
vasp 4.6 并行安裝問題已經(jīng)有15人回復(fù)
vasp并行測試時出錯。已經(jīng)有7人回復(fù)
vasp并行出錯，急于求助�。�！已經(jīng)有13人回復(fù)
vasp 并行運算出錯已經(jīng)有7人回復(fù)
【求助成功】vasp5.2并行安裝不上已經(jīng)有18人回復(fù)
【求助】mpi vasp問題已經(jīng)有32人回復(fù)
【求助】vasp并行安裝mpich2的錯誤已經(jīng)有10人回復(fù)

歡迎光臨我的 AI 社區(qū) http://keepdl.org

1樓 2015-01-31 20:33:56

已閱回復(fù)此樓關(guān)注TA 給TA發(fā)消息送TA紅花 TA的回帖

AV兄

木蟲 (正式寫手)

應(yīng)助: 8 (幼兒園)
金幣: 654.8
散金: 350
紅花: 9
帖子: 319
在線: 598.1小時
蟲號: 2129181
注冊: 2012-11-15
專業(yè): 化學(xué)反應(yīng)工程

在終端下運行mpirun vasp 得到如下結(jié)果：
mpirun has detected an attempt to run as root. This is *strongly*
discouraged as any mistake (e.g., in defining TMPDIR) or bug can
result in catastrophic damage to the OS file system, leaving
your system in an unusable state.

You can override this protection by adding the --allow-run-as-root
option to your cmd line. However, we reiterate our strong advice
against doing so - please do so at your own risk.

贊一下

回復(fù)此樓

歡迎光臨我的 AI 社區(qū) http://keepdl.org

2樓2015-01-31 20:46:25

已閱回復(fù)此樓關(guān)注TA 給TA發(fā)消息送TA紅花 TA的回帖

AV兄

木蟲 (正式寫手)

應(yīng)助: 8 (幼兒園)
金幣: 654.8
散金: 350
紅花: 9
帖子: 319
在線: 598.1小時
蟲號: 2129181
注冊: 2012-11-15
專業(yè): 化學(xué)反應(yīng)工程

執(zhí)行mpirun -np 2 vasp 之后出現(xiàn)這：

[zm@localhost vasp.5.2]$ mpirun -np 2 vasp
Error reading item 'VCAIMAGES' from file INCAR.
forrtl: error (78): process killed (SIGTERM)
Image             PC             Routine          Line       Source
libc.so.6       00000033128CC0A6  Unknown             Unknown  Unknown
libopen-pal.so.6 00002B49A342A279  Unknown             Unknown  Unknown
libopen-pal.so.6 00002B49A341FAFE  Unknown             Unknown  Unknown
libopen-pal.so.6 00002B49A33D8ECB  Unknown             Unknown  Unknown
libmpi.so.1       00002B49A2E60F31  Unknown             Unknown  Unknown
libmpi.so.1       00002B49A2E839BF  Unknown             Unknown  Unknown
libmpi_mpifh.so.2  00002B49A2C03717  Unknown             Unknown  Unknown
vasp             000000000045DC9D  Unknown             Unknown  Unknown
vasp             000000000047B1B3  Unknown             Unknown  Unknown
vasp             000000000040B7EF  Unknown             Unknown  Unknown
vasp             000000000040B72C  Unknown             Unknown  Unknown
libc.so.6       000000331281D9F4  Unknown             Unknown  Unknown
vasp             000000000040B639  Unknown             Unknown  Unknown
--------------------------------------------------------------------------
mpirun has exited due to process rank 0 with PID 13692 on
node localhost exiting improperly. There are three 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"

3. this process called "MPI_Abort" or "orte_abort" and the mca parameter
orte_create_session_dirs is set to false. In this case, the run-time cannot
detect that the abort call was an abnormal termination. Hence, the only
error message you will receive is this one.

This may have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).

You can avoid this message by specifying -quiet on the mpirun command line.

弄了一整天還沒搞好，在家也沒人指導(dǎo)

贊一下

回復(fù)此樓

歡迎光臨我的 AI 社區(qū) http://keepdl.org

3樓2015-01-31 21:49:12

已閱回復(fù)此樓關(guān)注TA 給TA發(fā)消息送TA紅花 TA的回帖

沒人懂的孤單

木蟲 (初入文壇)

金蟲

應(yīng)助: 1 (幼兒園)
金幣: 2505.8
紅花: 1
帖子: 34
在線: 139.7小時
蟲號: 2123592
注冊: 2012-11-13
性別: GG
專業(yè): 化學(xué)工程及工業(yè)化學(xué)

引用回帖:

3樓: Originally posted by AV兄 at 2015-01-31 21:49:12
執(zhí)行mpirun -np 2 vasp 之后出現(xiàn)這：

$ mpirun -np 2 vasp
Error reading item 'VCAIMAGES' from file INCAR.
forrtl: error (78): process killed (SIGTERM)
Image PC Routine ...

專業(yè)幫頂

[ 發(fā)自小木蟲客戶端 ]

回復(fù)此樓

4樓2015-02-01 14:01:53

已閱回復(fù)此樓關(guān)注TA 給TA發(fā)消息送TA紅花 TA的回帖

huhupanpan

銀蟲 (小有名氣)

應(yīng)助: 0 (幼兒園)
金幣: 84.1
散金: 134
帖子: 72
在線: 25.8小時
蟲號: 2315489
注冊: 2013-03-03
性別: GG
專業(yè): 物理有機(jī)化學(xué)

好屌的樣子

回復(fù)此樓

拿起筆考研嘿！

5樓2015-02-02 20:09:08

已閱回復(fù)此樓關(guān)注TA 給TA發(fā)消息送TA紅花 TA的回帖

Phony-Silvia

新蟲 (小有名氣)

應(yīng)助: 0 (幼兒園)
金幣: 615.5
帖子: 54
在線: 39.3小時
蟲號: 2943316
注冊: 2014-01-22
專業(yè): 金屬材料的微觀結(jié)構(gòu)

引用回帖:

2樓: Originally posted by AV兄 at 2015-01-31 20:46:25
在終端下運行mpirun vasp 得到如下結(jié)果：
mpirun has detected an attempt to run as root. This is *strongly*
discouraged as any mistake (e.g., in defining TMPDIR) or bug can
result in catastrophic dam ...

請問這個問題你是怎么解決的同問
mpirun has detected an attempt to run as root.
Running at root is *strongly* discouraged as any mistake (e.g., in
defining TMPDIR) or bug can result in catastrophic damage to the OS
file system, leaving your system in an unusable state.

You can override this protection by adding the --allow-run-as-root
option to your cmd line. However, we reiterate our strong advice
against doing so - please do so at your own risk.

這個權(quán)限怎么打開

贊一下

回復(fù)此樓

6樓2015-08-15 12:35:08

已閱回復(fù)此樓關(guān)注TA 給TA發(fā)消息送TA紅花 TA的回帖

AV兄

木蟲 (正式寫手)

應(yīng)助: 8 (幼兒園)
金幣: 654.8
散金: 350
紅花: 9
帖子: 319
在線: 598.1小時
蟲號: 2129181
注冊: 2012-11-15
專業(yè): 化學(xué)反應(yīng)工程

引用回帖:

6樓: Originally posted by Phony-Silvia at 2015-08-15 12:35:08
請問這個問題你是怎么解決的同問
mpirun has detected an attempt to run as root.
Running at root is *strongly* discouraged as any mistake (e.g., in
defining TMPDIR) or bug can result in catastroph ...

我是自個兒裝著玩的，問題也沒解決，我計算是直接連的服務(wù)器，導(dǎo)師已經(jīng)編譯好了，所以實在抱歉啊

[ 發(fā)自小木蟲客戶端 ]

贊一下

回復(fù)此樓

歡迎光臨我的 AI 社區(qū) http://keepdl.org

7樓2015-08-15 12:53:34

已閱回復(fù)此樓關(guān)注TA 給TA發(fā)消息送TA紅花 TA的回帖

Phony-Silvia

新蟲 (小有名氣)

應(yīng)助: 0 (幼兒園)
金幣: 615.5
帖子: 54
在線: 39.3小時
蟲號: 2943316
注冊: 2014-01-22
專業(yè): 金屬材料的微觀結(jié)構(gòu)

引用回帖:

7樓: Originally posted by AV兄 at 2015-08-15 12:53:34
我是自個兒裝著玩的，問題也沒解決，我計算是直接連的服務(wù)器，導(dǎo)師已經(jīng)編譯好了，所以實在抱歉啊
...

秒回啊還是謝謝你

贊一下

回復(fù)此樓

8樓2015-08-15 13:06:09

已閱回復(fù)此樓關(guān)注TA 給TA發(fā)消息送TA紅花 TA的回帖

最具人氣熱帖推薦 [查看全部]	作者	回/看	最后發(fā)表

[考研] 07化學(xué)280分求調(diào)劑 +4	722865 2026-03-23	4/200	2026-03-24 00:01 by chixmc
[考研] 一志愿中南大學(xué)化學(xué)學(xué)碩0703總分337求調(diào)劑 +5	niko- 2026-03-22	5/250	2026-03-23 22:01 by fuyu_
[考研] 一志愿211 初試270分求調(diào)劑 +4	谷雨上岸 2026-03-23	5/250	2026-03-23 21:18 by 不惑可樂
[考研] 265求調(diào)劑 +10	梁梁校校 2026-03-17	10/500	2026-03-23 21:17 by 一切OK
[考研] 一志愿南京理工大學(xué)085701資源與環(huán)境302分求調(diào)劑 +5	葵梓衛(wèi)隊 2026-03-18	7/350	2026-03-23 16:26 by lingjue
[考研] 317求調(diào)劑 +12	申子申申 2026-03-19	18/900	2026-03-22 22:23 by luoyongfeng
[考研] 求調(diào)劑一志愿海大，0703化學(xué)學(xué)碩304分，有大創(chuàng)項目，四級已過 +6	幸運哩哩 2026-03-22	10/500	2026-03-22 20:10 by edmund7
[考研] 08工科 320總分求調(diào)劑 +11	梨花珞晚風(fēng) 2026-03-17	11/550	2026-03-22 17:42 by luoyongfeng
[考研] 尋找調(diào)劑 +4	倔強(qiáng)芒? 2026-03-21	4/200	2026-03-22 16:14 by 木托莫露露
[考研] 生物學(xué)調(diào)劑 +5	Surekei 2026-03-21	5/250	2026-03-22 14:39 by tcx007
[考研] 285求調(diào)劑 +6	ytter 2026-03-22	6/300	2026-03-22 12:09 by 星空星月
[考研] 求調(diào)劑 +4	要好好無聊 2026-03-21	4/200	2026-03-21 18:57 by 學(xué)員8dgXkO
[考研] 278求調(diào)劑 +9	煙火先于春 2026-03-17	9/450	2026-03-21 17:47 by 學(xué)員8dgXkO
[考研] 336求調(diào)劑 +5	rmc8866 2026-03-21	5/250	2026-03-21 17:24 by 學(xué)員8dgXkO
[基金申請] 學(xué)校已經(jīng)提交到NSFC，還能修改嗎？ 40+4	babangida 2026-03-19	9/450	2026-03-21 16:12 by babangida
[考研] 085700資源與環(huán)境308求調(diào)劑 +12	墨墨漠 2026-03-18	13/650	2026-03-21 01:42 by JourneyLucky
[考研] 材料與化工 322求調(diào)劑 +4	然11 2026-03-19	4/200	2026-03-20 22:12 by luoyongfeng
[考研] 材料學(xué)碩297已過四六級求調(diào)劑推薦 +11	adaie 2026-03-19	11/550	2026-03-20 21:30 by laoshidan
[考研] 0856調(diào)劑，是學(xué)校就去 +8	sllhht 2026-03-19	9/450	2026-03-20 14:25 by 無懈可擊111
[考研] 材料，紡織，生物（0856、0710），化學(xué)招生啦 +3	Eember. 2026-03-17	9/450	2026-03-18 10:28 by Eember.