 |
 |
 |
 |
 |
 |
||
 |
 |
 |
 |
 |
| 12 | 1/1 | 返回列表 |
| 查看: 3216 | 回復(fù): 11 | |||
[交流]
ESPRESSO4.3.1 install problem
|
|
Installation is OK. But a few errors occur during rung all example. Can someone eliminates them? .......................... .......................... .......................... .......................... /usr/local/espresso-4.3.1/examples/example09 : starting This example shows how to use pw.x and phcg.x to calculate the normal modes of a molecule (SiH4) at Gamma. It shows also the use of ph.x for molecules (CH4) at Gamma. executables directory: /usr/local/espresso-4.3.1/bin pseudo directory: /usr/local/espresso-4.3.1/pseudo temporary directory: /root/tmp checking that needed directories and files exist... done running pw.x as: mpirun -np 2 /usr/local/espresso-4.3.1/bin/pw.x running ph.x as: mpirun -np 2 /usr/local/espresso-4.3.1/bin/ph.x running phcg.x as: mpirun -np 2 /usr/local/espresso-4.3.1/bin/phcg.x running dynmat.x as: /usr/local/espresso-4.3.1/bin/dynmat.x cleaning /root/tmp... done running the scf calculation for SiH4... done running normal mode calculation for SiH4... done running IR cross section calculation for SiH4... done running the scf calculation for CH4... done running normal mode calculation for CH4... done running IR cross section calculation for CH4...Fatal error in PMPI_Barrier: Invalid communicator, error stack: PMPI_Barrier(910): MPI_Barrier(comm=0x0) failed PMPI_Barrier(780): Invalid communicator Error condition encountered during test: exit status = 1 Aborting .......................... .......................... .......................... .......................... /usr/local/espresso-4.3.1/examples/example30 : starting This example shows how to use cp.x to perform molecular dynamics in the presence of an electric field described through the modern theory of the polarization. The example shows how to calculate high-frequency and static dielectric constants and Born effective charges. executables directory: /usr/local/espresso-4.3.1/bin pseudo directory: /usr/local/espresso-4.3.1/pseudo temporary directory: /root/tmp checking that needed directories and files exist... done running cp.x as: mpirun -np 2 /usr/local/espresso-4.3.1/bin/cp.x cleaning /root/tmp... done running the CG calculation for bulk MgO E_field=0. a.u. ...forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source cp.x 0000000000468B71 Unknown Unknown Unknown cp.x 000000000045C415 Unknown Unknown Unknown cp.x 0000000000592EF2 Unknown Unknown Unknown cp.x 0000000000474902 Unknown Unknown Unknown cp.x 000000000042A094 Unknown Unknown Unknown cp.x 0000000000407D50 Unknown Unknown Unknown cp.x 0000000000407C5C Unknown Unknown Unknown libc.so.6 0000003A5741EC5D Unknown Unknown Unknown cp.x 0000000000407B59 Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source cp.x 0000000000468B71 Unknown Unknown Unknown cp.x 000000000045C415 Unknown Unknown Unknown cp.x 0000000000592EF2 Unknown Unknown Unknown cp.x 0000000000474902 Unknown Unknown Unknown cp.x 000000000042A094 Unknown Unknown Unknown cp.x 0000000000407D50 Unknown Unknown Unknown cp.x 0000000000407C5C Unknown Unknown Unknown libc.so.6 0000003A5741EC5D Unknown Unknown Unknown cp.x 0000000000407B59 Unknown Unknown Unknown Error condition encountered during test: exit status = 174 Aborting .......................... .......................... .......................... .......................... /usr/local/espresso-4.3.1/examples/example34 : starting This example shows how to use vdw.x to calculate dynamic polarizability of methane molecule in simplified version of the one in ph.x (see example33) by using Thomas-Fermi and von Weizsaecker approximation executables directory: /usr/local/espresso-4.3.1/bin pseudo directory: /usr/local/espresso-4.3.1/pseudo temporary directory: /root/tmp checking that needed directories and files exist... done running pw.x as: mpirun -np 2 /usr/local/espresso-4.3.1/bin/pw.x running vdw.x as: mpirun -np 2 /usr/local/espresso-4.3.1/bin/vdw.x cleaning /root/tmp... done running the scf calculation... done running the dynamic polarizability calculation ...application called MPI_Abort(MPI_COMM_WORLD, 0) - process 0 Error condition encountered during test: exit status = 137 Aborting .......................... .......................... .......................... .......................... /usr/local/espresso-4.3.1/examples/example35 : starting This example tests the Born effective charges and dielectric constant together with the noncollinear or the spin-orbit part of the code The collinear version for insulators with fixed total magnetization is also tested. executables directory: /usr/local/espresso-4.3.1/bin pseudo directory: /usr/local/espresso-4.3.1/pseudo temporary directory: /root/tmp checking that needed directories and files exist... done running pw.x as: mpirun -np 2 /usr/local/espresso-4.3.1/bin/pw.x running ph.x as: mpirun -np 2 /usr/local/espresso-4.3.1/bin/ph.x cleaning /root/tmp... done running pw.x for Si with gga-pbe and spin-orbit coupling... done running ph.x at Gamma for Si with gga-pbe and spin-orbit coupling... done running pw.x for C with noncolin=.true.... done running ph.x at Gamma for C with noncolin=.true.... done running pw.x at Gamma for O2 with LSDA and constrained magnetization... done running ph.x at Gamma for O2 with LSDA and constrained magnetization... done running pw.x at Gamma for O2 with noncolin=.true....application called MPI_Abort(MPI_COMM_WORLD, 0) - process 0 application called MPI_Abort(MPI_COMM_WORLD, 0) - process 1 Error condition encountered during test: exit status = 137 Aborting .......................... .......................... .......................... .......................... /usr/local/espresso-4.3.1/examples/example36 : starting This example tests pw.x with PAW in the noncollinear, spin-orbit case. It calculates the band structure of ferromagnetic bcc-Fe, and the phonon modes of relativistic Au at the gamma and X points executables directory: /usr/local/espresso-4.3.1/bin pseudo directory: /usr/local/espresso-4.3.1/pseudo temporary directory: /root/tmp checking that needed directories and files exist... done running pw.x as: mpirun -np 2 /usr/local/espresso-4.3.1/bin/pw.x running ph.x as: mpirun -np 2 /usr/local/espresso-4.3.1/bin/ph.x running bands.x as: mpirun -np 2 /usr/local/espresso-4.3.1/bin/bands.x running plotband.x as: /usr/local/espresso-4.3.1/bin/plotband.x cleaning /root/tmp... done running the scf calculation for Au with PAW and spin-orbit... done running ph.x for Au at Gamma with PAW and spin-orbit... done running ph.x for Au at X with PAW and spin-orbit... done running the scf calculation for Fe with PAW spin-orbit... done running the band calculation for Fe with PAW and spin-orbit...application called MPI_Abort(MPI_COMM_WORLD, 0) - process 0 Error condition encountered during test: exit status = 137 Aborting [ Last edited by yxcai on 2011-6-11 at 19:19 ] |
回復(fù)此樓» 猜你喜歡
281求調(diào)劑（0805）
已經(jīng)有9人回復(fù)
-
293求調(diào)劑
已經(jīng)有14人回復(fù)
-
0703化學(xué)336分求調(diào)劑
已經(jīng)有6人回復(fù)
-
304求調(diào)劑
已經(jīng)有9人回復(fù)
-
環(huán)境領(lǐng)域全國重點實驗室招收博士1-2名
已經(jīng)有3人回復(fù)
-
材料專碩306英一數(shù)二
已經(jīng)有10人回復(fù)
-
301求調(diào)劑
已經(jīng)有6人回復(fù)
-
一志愿天津大學(xué)化學(xué)工藝專業(yè)（081702）315分求調(diào)劑
已經(jīng)有7人回復(fù)
-
302求調(diào)劑
已經(jīng)有6人回復(fù)
-
26博士申請
已經(jīng)有3人回復(fù)
» 本主題相關(guān)價值貼推薦，對您同樣有幫助:
- 求詢Install_QuantityOne_v452_PC 的密碼？
已經(jīng)有4人回復(fù)
- some prejudice on the social and environmental problem
已經(jīng)有14人回復(fù)
- 請教MS4.4 Linux下安裝提示 msiinstall語法錯誤
已經(jīng)有14人回復(fù)
- Gaussian 09 Linux在 Ubuntu 10.04下裝不上（運行./install沒有回應(yīng)）
已經(jīng)有5人回復(fù)
- How puzzled I am ! What a distressed problem !
已經(jīng)有12人回復(fù)
- 【求助】Ansys安裝第一項Install Required Prerequisits安裝錯誤
已經(jīng)有4人回復(fù)
- 【求助】高斯計算出現(xiàn)Fatal Problem: The smallest alpha delta epsilon is -0.785373
已經(jīng)有7人回復(fù)
- 鼠標(biāo)右鍵會彈出windows install正在安裝，百度了很多辦法都不行~
已經(jīng)有6人回復(fù)
- 【Share】I encounter a difficult problem!
已經(jīng)有5人回復(fù)
- 【求助】ARRAY B TOO SMALL FOR THIS PROBLEM 如何解決
已經(jīng)有9人回復(fù)
- 【求助】Plugins problem when running "make"
已經(jīng)有4人回復(fù)
- 【求助】Problem with the distance matrix
已經(jīng)有5人回復(fù)
» 搶金幣啦！回帖就可以得到:
-
散金幣，求好運，祝面上順利！
+2/128
-
【技術(shù)服務(wù)】研究所橫向技術(shù)開發(fā)及服務(wù)
+1/99
-
博士后出站經(jīng)驗請教
+1/78
-
何時使用 CODA™ 科里奧利質(zhì)量流量儀表- 艾里卡特（Alicat）
+2/52
-
華南師范大學(xué)（211）博士招生- 電子、自動化、機械、生物學(xué)、物理相關(guān)專業(yè)
+2/38
-
Call for paper: [Fermentation – IF 3.3]
+2/38
-
1
+1/37
-
中國科學(xué)院杭州醫(yī)學(xué)研究所覃江江課題組招聘博士后
+1/35
-
澳大利亞西澳大學(xué)（UWA）張金強課題組招收全獎博士生（化工新能源方向）
+1/27
-
【預(yù)碩】【預(yù)博】青島大學(xué)生物醫(yī)藥創(chuàng)新轉(zhuǎn)化
+1/16
-
新加坡國立大學(xué)藥學(xué)系化學(xué)生物學(xué)課題組招PhD
+1/16
-
上海科技大學(xué)物質(zhì)學(xué)院招收有機化學(xué)方向2026級工程博士
+1/7
-
【第三輪招生，31號截止】澳科大誠招2026秋全獎博士研究生（納米醫(yī)學(xué)/生物材料方向）
+1/6
-
福州大學(xué)國家級人才湯育欣教授課題組2026年招收”申請考核制“儲能電池方向博士研究生
+1/6
-
論文投出，祈福，求好運
+1/3
-
連發(fā)兩篇 Nature！大樣本單細胞測序解析認知、衰老與靈長類進化
+1/2
-
323分控制工程求調(diào)劑
+1/2
-
招收理論凝聚態(tài)物理/納米光學(xué)/量子計算方向博士、碩士研究生/博士后
+1/1
-
【2026年春季補錄】廈門大學(xué)田中群院士/易駿教授納米光子學(xué)團隊招收2026年入學(xué)博士生
+1/1
-
085400總分296求B區(qū)調(diào)劑求求求
+1/1
goldenfisher
金蟲 (著名寫手)
- 1ST強帖: 3
- 應(yīng)助: 55 (初中生)
- 貴賓: 0.153
- 金幣: 5779.1
- 帖子: 1552
- 在線: 351.5小時
- 蟲號: 117764
2樓2011-06-12 23:45:56
3樓2011-06-13 17:11:18
4樓2011-06-18 17:35:11
valenhou001
至尊木蟲 (職業(yè)作家)
- 1ST強帖: 13
- 應(yīng)助: 241 (大學(xué)生)
- 金幣: 25701.7
- 帖子: 3782
- 在線: 873.8小時
- 蟲號: 1007127
5樓2011-06-21 08:34:51
|
謝謝回復(fù),但從我的錯誤看好像不是輸入文件的錯誤. Fatal error in PMPI_Barrier: Invalid communicator, error stack: forrtl: severe (174): SIGSEGV, segmentation fault occurred ...application called MPI_Abort(MPI_COMM_WORLD, 0) - process 0 Error condition encountered during test: exit status = 137 [ Last edited by yxcai on 2011-6-21 at 15:53 ] |
6樓2011-06-21 15:51:46
★ ★
yxcai(金幣+1):謝謝參與
franch(金幣+1): 鼓勵交流 2011-07-18 19:52:39
yxcai(金幣+1):謝謝參與
franch(金幣+1): 鼓勵交流 2011-07-18 19:52:39
|
是不是這個版本不穩(wěn)定？ 我也是用這個，在運行例子的時候， cleaning /home/gtang/tmp... done running the scf calculation... done running pp.x to do a 2-d plot of the charge density...###################### ############################################################################## ################ # FROM IOTK LIBRARY, VERSION 1.2.0 # UNRECOVERABLE ERROR (ierr=1) # ERROR IN: iotk_scan_end (iotk_scan.spp:233) # CVS Revision: 1.23 # foundl # ERROR IN: iotk_close_read (iotk_files.spp:645) # CVS Revision: 1.20 ############################################################################## ######################################## application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 Error condition encountered during test: exit status = 1 Aborting 剛裝上去的時候，還能運行成功幾個例子，到后來全都運行不了，我用的是cygwin。 有高手知道怎么回事么？或者解決方法是換個舊一點的版本？ |
7樓2011-07-18 18:10:11
8樓2011-07-25 17:11:53
9樓2011-07-25 21:09:15
10樓2011-08-03 05:10:54
11樓2011-08-03 08:50:45
12樓2012-11-26 10:58:37
相關(guān)版塊跳轉(zhuǎn)
我要訂閱樓主 yxcai 的主題更新
| 12 | 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] 304求調(diào)劑 +9 | 小熊joy 2026-03-14 | 9/450 |
|
|---|---|---|---|---|
|
[考研] 能源材料化學(xué)課題組招收碩士研究生8-10名 +3 | 脫穎而出 2026-03-16 | 6/300 |
|
|
|
[考研] 296求調(diào)劑 +5 | 大口吃飯 身體健 2026-03-13 | 5/250 |
|
|
|
[考研] 341求調(diào)劑 +5 | 搗蛋豬豬 2026-03-11 | 7/350 |
|
|
|
[考研] 268求調(diào)劑 +8 | 一定有學(xué)上- 2026-03-14 | 9/450 |
|
|
|
[考研] 344求調(diào)劑 +4 | knight344 2026-03-16 | 4/200 |
|
|
|
[碩博家園] 湖北工業(yè)大學(xué) 生命科學(xué)與健康學(xué)院-課題組招收2026級食品/生物方向碩士 +3 | 1喜春8 2026-03-17 | 5/250 |
|
|
|
[考研] 考研化學(xué)學(xué)碩調(diào)劑，一志愿985 +4 | 張vvvv 2026-03-15 | 6/300 |
|
|
|
[考研] 材料專碩326求調(diào)劑 +6 | 墨煜姒莘 2026-03-15 | 7/350 |
|
|
|
[考研] 有沒有道鐵/土木的想調(diào)劑南林，給自己招師弟中～ +3 | TqlXswl 2026-03-16 | 7/350 |
|
|
|
[考研] 工科材料085601 279求調(diào)劑 +3 | 困于星晨 2026-03-17 | 3/150 |
|
|
|
[考研] 東南大學(xué)364求調(diào)劑 +5 | JasonYuiui 2026-03-15 | 5/250 |
|
|
|
[考研] 0856求調(diào)劑 +3 | 劉夢微 2026-03-15 | 3/150 |
|
|
|
[考研] 327求調(diào)劑 +6 | 拾光任染 2026-03-15 | 11/550 |
|
|
|
[考研] 080500，材料學(xué)碩302分求調(diào)劑學(xué)校 +4 | 初識可樂 2026-03-14 | 5/250 |
|
|
|
[考研] 本科南京大學(xué)一志愿川大藥學(xué)327 +3 | 麥田耕者 2026-03-14 | 3/150 |
|
|
|
[考研] 255求調(diào)劑 +3 | 李嘉慧， 2026-03-12 | 4/200 |
|
|
|
[考研] 材料080500調(diào)劑求收留 +3 | 一顆meteor 2026-03-13 | 3/150 |
|
|
|
[考研] 301求調(diào)劑 +6 | Liyouyumairs 2026-03-11 | 6/300 |
|
|
|
[考研] 一志愿211化學(xué)學(xué)碩310分求調(diào)劑 +8 | 努力奮斗112 2026-03-12 | 9/450 |
|