| 查看: 3292 | 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
0860004 求调剂 309分
已经有4人回复
-
材料类284调剂
已经有25人回复
-
一志愿211 0703化学 346分求调剂
已经有5人回复
-
考研调剂-材料类-284
已经有17人回复
-
280求调剂
已经有3人回复
-
0703化学求调剂
已经有18人回复
-
调剂
已经有15人回复
-
复试调剂，一志愿郑州大学材料与化工289分
已经有16人回复
-
349学科化学045106求调剂，化学类都可以
已经有7人回复
-
086003调剂求助
已经有6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:
-
★★精品★★0860生物与医药还有调剂指标，最后的机会，捡漏上岸
+1/132
-
四川轻化工大学物理与电子工程学院 2026年硕士研究生调剂公告
+2/114
-
2026 硕士研究生调剂｜河南工业大学化学化工学院名额开放
+2/48
-
浙江理工大学蒋仲庆 物理/新能源/材料 招9名
+2/48
-
福建理工大学招收环境、化工、能源动力、新能源科学与工程、材料、机械等学科背景
+1/38
-
复旦大学院士团队招聘药学博士后/科研助理
+1/34
-
哈尔滨工业大学招收博士研究生（欢迎环境、生物、市政、农业、化学等专业）长期有效
+2/22
-
哈尔滨工业大学化工学院中俄联合办学硕士生招生
+1/21
-
齐鲁工业大学（山东省科学院）海洋流体机械团队 2026 年博士研究生招生
+1/20
-
大连工业大学 高分子材料 接收考研调剂
+1/19
-
中国石油大学（北京）国家级大人才团队博士招生1名：化学、材料、石油工程：油田化学
+1/18
-
350求调剂
+1/12
-
太原科技大学光学工程学科接受调剂
+1/12
-
26年申博自荐-计算机视觉
+1/7
-
欢迎调剂攀枝花学院化学工程专业，资源与环境专业，线上复试
+1/5
-
一志愿211电子信息347求调剂
+1/4
-
台州学院接收化学、化工与材料方向调剂
+1/3
-
大连工业大学食品交叉科学研究院招收调剂研究生
+1/2
-
线上复试：河南理工大学 化工学院 接收调剂硕士研究生
+1/2
-
长春大学计算机科学技术学院硕士研究生调剂（计算机科学技术、网络空间安全）
+1/2
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
