| 查看: 3645 | 回复: 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 ] |
回复此楼» 猜你喜欢
售SCI文章，我:8O.5.5.1O.54,科目全,可十急
已经有6人回复
-
售SCI一区T0P文章，我:8.O.55.1.O.5.4,科目全,可+急
已经有5人回复
-
售SCI一区文章，我:8.O.55.1.O.54,科目齐全,可伽急
已经有8人回复
-
售SCI一区T0P文章，我:8.O55.1.O.54,科目全,可十急
已经有6人回复
-
2026年的国家社科基金项目通讯评审的新规则与新动向、新挑战
已经有4人回复
-
跳槽后在研项目怎么办？
已经有10人回复
-
售SCI一区T0P文章，我:8.O.55.1.O.54,科目齐全,可+急
已经有5人回复
-
什么时候开奖？
已经有10人回复
-
2026国自然函评费到账
已经有16人回复
-
售SCI一区T0P文章，我:8.O55.1.O.54,科目全,可十急
已经有9人回复
» 本主题相关价值贴推荐，对您同样有帮助:
- 求询Install_QuantityOne_v452_PC 的密码？
已经有4人回复
- some prejudice on the social and environmental problem
已经有14人回复
- 请教MS4.4 Linux下安装提示 msiinstall语法错误
已经有14人回复
- Gaussian 09 Linux在 Ubuntu 10.04下装不上（运行./install没有回应）
已经有5人回复
- How puzzled I am ! What a distressed problem !
已经有12人回复
- 【求助】Ansys安装第一项Install Required Prerequisits安装错误
已经有4人回复
- 【求助】高斯计算出现Fatal Problem: The smallest alpha delta epsilon is -0.785373
已经有7人回复
- 鼠标右键会弹出windows install正在安装，百度了很多办法都不行~
已经有6人回复
- 【Share】I encounter a difficult problem!
已经有5人回复
- 【求助】ARRAY B TOO SMALL FOR THIS PROBLEM 如何解决
已经有9人回复
- 【求助】Plugins problem when running "make"
已经有4人回复
- 【求助】Problem with the distance matrix
已经有5人回复
» 抢金币啦！回帖就可以得到:
-
散金币
+1/936
-
南方医科大学|生物材料与医学工程团队诚聘科研助理
+2/252
-
散金求好运
+1/191
-
诚征另一半
+1/172
-
散金
+5/100
-
上海交通大学张航课题组招聘博士后（电化学储能）
+1/89
-
那年春暖花开，今朝如梦初醒 —— 北漂十五载，相亲十年，归乡孑然一身
+1/72
-
哈尔滨工业大学（校本部）电子与信息工程学院2027级博士招生
+1/64
-
面上基金祈福
+1/42
-
强耀生物金秋开学季活动，2026年8月18日-10月31日，肽库筛选低至2W5
+3/37
-
瑞典-博后-固态电池-粘结剂-锂离子电池方向
+1/36
-
瑞典-博后-固态电池-粘结剂-锂离子电池方向
+1/33
-
***大叔找对象（沪深等地）
+1/21
-
流放岭南浮肿了求救
+1/20
-
2027环境工程博士申请
+1/8
-
南方医科大学深圳医院陈烨/余涛教授课题组联合培养博士后招聘
+1/6
-
单晶培养案例分享（良溶剂+不良溶剂挥发法）
+1/5
-
祈祷老公中国基
+1/5
-
新审查指南施行半年，AI方向的专利申请是不是更看"技术味"了？
+1/2
-
【产品测评分享】体外转录产量不理想、dsRNA 副产物高？T7 RNA 聚合酶实测体验
+1/1
2楼2011-06-12 23:45:56
3楼2011-06-13 17:11:18
4楼2011-06-18 17:35:11
5楼2011-06-21 08:34:51
|
谢谢回复,但从我的错误看好像不是输入文件的错误. 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楼2011-06-21 15:51:46
★ ★
yxcai(金币+1):谢谢参与
franch(金币+1): 鼓励交流 2011-07-18 19:52:39
yxcai(金币+1):谢谢参与
franch(金币+1): 鼓励交流 2011-07-18 19:52:39
|
是不是这个版本不稳定？ 我也是用这个，在运行例子的时候， 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 刚装上去的时候，还能运行成功几个例子，到后来全都运行不了，我用的是cygwin。 有高手知道怎么回事么？或者解决方法是换个旧一点的版本？ |
7楼2011-07-18 18:10:11
8楼2011-07-25 17:11:53
9楼2011-07-25 21:09:15
10楼2011-08-03 05:10:54
11楼2011-08-03 08:50:45
12楼2012-11-26 10:58:37
